Basic information
- CAS
140872-94-2- Standard SMILES
C=CC(C)(CCC=C(C)CCC=C(C)C)c1cc(O)c(O)c(-c2cc(C(C)(C=C)CCC=C(C)CCC=C(C)C)cc(O)c2O)c1- InChIKey
FBBLBOYXADGJGC-UHFFFAOYSA-N- Molecular formula
- C42H58O4
- Average molar mass
- 626.9 g/mol
- Monoisotopic mass
- 626.43351033
Names & identifiers
- Preferred name
- 3-[2,3-Dihydroxy-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)phenyl]-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)benzene-1,2-diol
- IUPAC
- 3-[2,3-dihydroxy-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)phenyl]-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)benzene-1,2-diol
Names & synonyms
140872-94-2DTXSID3011272225,5'-Bis(1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl)[1,1'-biphenyl]-2,2',3,3'-tetrol5,5'-Bis(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)[1,1'-biphenyl]-2,2',3,3'-tetrol5,5a(2)-Bis(1-ethenyl-1,5,9-trimethyl-4,8-decadien-1-yl)[1,1a(2)-biphenyl]-2,2a(2),3,3a(2)-tetrol
Database identifiers
- CAS
140872-94-2- PubChem CID
- 4720
- DTXSID
DTXSID301127222
Properties
Computed structural properties
- XLogP
- 13.7
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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