1,2-Benzenediol, 5-(1-ethenyl-1,5,9-trimethyl-4,8-decadienyl)-3-[4-(1-ethenyl-1,5,9-trimethyl-4,8-decadienyl)-2-hydroxyphenoxy]-

HCID 4722

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Basic information

CAS: 140872-96-4
Standard SMILES: C=CC(C)(CCC=C(C)CCC=C(C)C)c1ccc(Oc2cc(C(C)(C=C)CCC=C(C)CCC=C(C)C)cc(O)c2O)c(O)c1
InChIKey: IIXXCYMHCAOUOF-UHFFFAOYSA-N
Molecular formula: C42H58O4
Average molar mass: 626.9 g/mol
Monoisotopic mass: 626.43351033

Names & identifiers

Preferred name: 1,2-Benzenediol, 5-(1-ethenyl-1,5,9-trimethyl-4,8-decadienyl)-3-[4-(1-ethenyl-1,5,9-trimethyl-4,8-decadienyl)-2-hydroxyphenoxy]-
IUPAC: 3-[2-hydroxy-4-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)phenoxy]-5-(3,7,11-trimethyldodeca-1,6,10-trien-3-yl)benzene-1,2-diol

Names & synonyms

1,2-Benzenediol, 5-(1-ethenyl-1,5,9-trimethyl-4,8-decadienyl)-3-[4-(1-ethenyl-1,5,9-trimethyl-4,8-decadienyl)-2-hydroxyphenoxy]-140872-96-4DTXSID301103016

Database identifiers

CAS: 140872-96-4
PubChem CID: 4722
DTXSID: DTXSID301103016

Properties

Computed structural properties

XLogP: 13.9
Topological polar surface area: 69.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 18
Heavy atoms: 46
Formal charge: 0
Complexity: 1,070

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