Npc117493

HCID 9018

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Basic information

CAS: 123164-54-5
Standard SMILES: CC(=CCO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChIKey: BOTWFXYSPFMFNR-RTBURBONSA-N
Molecular formula: C20H40O
Average molar mass: 296.5 g/mol
Monoisotopic mass: 296.3079159

Overview

See also: Phytol (annotation moved to); No data (annotation moved to).

Names & identifiers

Preferred name: Npc117493
IUPAC: (7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol

Names & synonyms

RefChem:1092646Npc117493Phytol [FHFI]UNII-5BC2RZ81NGSCHEMBL22785(7R,11R)-3,7,11,15-TETRAMETHYLHEXADEC-2-EN-1-OLBOTWFXYSPFMFNR-RTBURBONSA-NDTXSID201379228(7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol

Database identifiers

CAS: 123164-54-5
PubChem CID: 9018
DTXSID: DTXSID201379228

Properties

Computed structural properties

XLogP: 8.2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 13
Heavy atoms: 21
Formal charge: 0
Complexity: 255

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