2-(3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl)phenol

HCID 57

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Basic information

CAS: 42187-47-3
Standard SMILES: CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1ccccc1O
InChIKey: VUNQJPPPTJIREN-UHFFFAOYSA-N
Molecular formula: C46H70O
Average molar mass: 639 g/mol
Monoisotopic mass: 638.54266685

Overview

2-(3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)phenol has been reported in Escherichia coli with data available.

Names & identifiers

Preferred name: 2-(3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl)phenol
IUPAC: 2-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl)phenol

Names & synonyms

RefChem:10610292-(3,7,11,15,19,23,27,31-Octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaen-1-yl)phenol42187-47-3SCHEMBL50008892-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl)phenolPD041871

Database identifiers

CAS: 42187-47-3
PubChem CID: 57
DTXSID: DTXSID301125169

Properties

Computed structural properties

XLogP: 16.6
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 23
Heavy atoms: 47
Formal charge: 0
Complexity: 1,110

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Compound notes

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