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Dicyclopentadiene diepoxide - 97%, high purity , CAS No.81-21-0
Basic Description
Synonyms
D97482 | HSDB 5240 | NSC 34460 | 1,2:5,6-Diepoxy-3a,4,5,6,7, 7a-hexahydro-4,7-methanoindan | DCPDDO; Dicyclopentadiene diepoxide; Dicyclopentadiene dioxide; NSC 24262; NSC 30544 | 2,4-Methano-2H-indeno[1,2-b:5,6-b']bisoxirene, octahydro | 2,4-Methano-2H-i
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Monoterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Monoterpenoids
Alternative Parents
Oxepanes Oxanes Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Norbornane monoterpenoid - Monoterpenoid - Oxepane - Oxane - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as monoterpenoids. These are compounds containing a chain of two isoprene units.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504751151
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751151
IUPAC Name
4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
INCHI
InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2
InChIKey
BQQUFAMSJAKLNB-UHFFFAOYSA-N
Smiles
C1C2C3CC4C(C3C1C5C2O5)O4
Isomeric SMILES
C1C2C3CC4C(C3C1C5C2O5)O4
WGK Germany
3
RTECS
PB9625200
Molecular Weight
164.2
Reaxy-Rn
112743
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112743&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
164.200 g/mol
XLogP3
0.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
164.084 Da
Monoisotopic Mass
164.084 Da
Topological Polar Surface Area
25.100 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
277.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
8
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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B1301028