8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol

C21H40O — CID 54030734

IUPAC8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol
SMILESCCCCCCCC[C@H]1CCC[C@@H]1CCCCCC=CCO
InChIInChI=1S/C21H40O/c1-2-3-4-5-8-11-15-20-17-14-18-21(20)16-12-9-6-7-10-13-19-22/h10,13,20-22H,2-9,11-12,14-19H2,1H3/t20-,21-/m0/s1
InChIKeyLFKCNBDZAMNMBR-SFTDATJTSA-N
MW308.55 g/mol
LogP6.65
Rot. Bonds14

About 8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol

8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol (PubChem CID 54030734) has the molecular formula C21H40O and a molecular weight of 308.55 g/mol. Its IUPAC name is 8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol.

Molecular Properties

Compound Name8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol
PubChem CID54030734
Molecular FormulaC21H40O
Molecular Weight308.55 g/mol
Exact Mass308.31
IUPAC Name8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol
SMILESCCCCCCCC[C@H]1CCC[C@@H]1CCCCCC=CCO
InChIInChI=1S/C21H40O/c1-2-3-4-5-8-11-15-20-17-14-18-21(20)16-12-9-6-7-10-13-19-22/h10,13,20-22H,2-9,11-12,14-19H2,1H3/t20-,21-/m0/s1
InChIKeyLFKCNBDZAMNMBR-SFTDATJTSA-N
XLogP6.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.65
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'}

Analyze 8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-nonadec-2-en-1-ol
CID 10869774
(11Z)-icosa-2,11-dien-1-ol
CID 173009253
(E)-undec-2-en-1-ol
CID 5365004
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
(2E,6E,10E)-tricosa-2,6,10-trien-1-ol
CID 11461788
7-[(1R,2S)-2-octylcyclopentyl]hept-3-enal
CID 57180089
(E)-7-[(1S,2S)-2-octylcyclopentyl]hept-2-enamide;propan-1-amine
CID 172785883

Frequently Asked Questions

What is the IUPAC name of 8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol?
The IUPAC name of 8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol (CID 54030734) is 8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol.
What is the SMILES notation for 8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol?
The canonical SMILES for 8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol is CCCCCCCC[C@H]1CCC[C@@H]1CCCCCC=CCO.
What is the InChIKey of 8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol?
The InChIKey is LFKCNBDZAMNMBR-SFTDATJTSA-N. The full InChI is InChI=1S/C21H40O/c1-2-3-4-5-8-11-15-20-17-14-18-21(20)16-12-9-6-7-10-13-19-22/h10,13,20-22H,2-9,11-12,14-19H2,1H3/t20-,21-/m0/s1.
What are the key properties of 8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol?
8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol has a molecular weight of 308.55 g/mol, XLogP of 6.65, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol is sourced from PubChem (CID 54030734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).