2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol

C23H44O — CID 22808676

IUPAC2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol
SMILESCCCCCC/C=C/[C@H]1CCC[C@@H]1CCCCCCC(CC)CO
InChIInChI=1S/C23H44O/c1-3-5-6-7-8-12-16-22-18-14-19-23(22)17-13-10-9-11-15-21(4-2)20-24/h12,16,21-24H,3-11,13-15,17-20H2,1-2H3/b16-12+/t21?,22-,23-/m0/s1
InChIKeyZQRBTRAQBWNWNG-ISFZMGKFSA-N
MW336.60 g/mol
LogP7.29
Rot. Bonds15

About 2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol

2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol (PubChem CID 22808676) has the molecular formula C23H44O and a molecular weight of 336.60 g/mol. Its IUPAC name is 2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol.

Molecular Properties

Compound Name2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol
PubChem CID22808676
Molecular FormulaC23H44O
Molecular Weight336.60 g/mol
Exact Mass336.34
IUPAC Name2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol
SMILESCCCCCC/C=C/[C@H]1CCC[C@@H]1CCCCCCC(CC)CO
InChIInChI=1S/C23H44O/c1-3-5-6-7-8-12-16-22-18-14-19-23(22)17-13-10-9-11-15-21(4-2)20-24/h12,16,21-24H,3-11,13-15,17-20H2,1-2H3/b16-12+/t21?,22-,23-/m0/s1
InChIKeyZQRBTRAQBWNWNG-ISFZMGKFSA-N
XLogP7.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.60
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol?
The IUPAC name of 2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol (CID 22808676) is 2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol.
What is the SMILES notation for 2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol?
The canonical SMILES for 2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol is CCCCCC/C=C/[C@H]1CCC[C@@H]1CCCCCCC(CC)CO.
What is the InChIKey of 2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol?
The InChIKey is ZQRBTRAQBWNWNG-ISFZMGKFSA-N. The full InChI is InChI=1S/C23H44O/c1-3-5-6-7-8-12-16-22-18-14-19-23(22)17-13-10-9-11-15-21(4-2)20-24/h12,16,21-24H,3-11,13-15,17-20H2,1-2H3/b16-12+/t21?,22-,23-/m0/s1.
What are the key properties of 2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol?
2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol has a molecular weight of 336.60 g/mol, XLogP of 7.29, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]octan-1-ol is sourced from PubChem (CID 22808676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).