Compound C100H164O structure

Compound C100H164O

3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol

CAS: 2067-66-5
Molecular Formula C100H164O
Molecular Weight 1382.4 g/mol
LogP 36.6
Topological Polar Surface Area 20.2 A2
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
Rotatable Bonds 59
Exact Mass 1382.2816
Heavy Atoms 101
Complexity 2840.0

Chemical Identifiers

CAS Number 2067-66-5
SMILES CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCO
InChIKey KEVPZUBEAUSPNJ-UHFFFAOYSA-N

📖 Product Overview

Compound C100H164O (CAS: 2067-66-5) is a chemical compound with molecular formula C100H164O and molecular weight 1382.4 g/mol. Its IUPAC systematic name is 3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol. LogP 36.6 Topological Polar Surface Area 20.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 1 Rotatable Bonds 59 Exact Mass 1382.2816 Heavy Atoms 101 Complexity 2840.0 InChI Key: KEVPZUBEAUSPNJ-UHFFFAOYSA-N. SMILES: CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCO.

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