8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol

C24H44O — CID 54079332

IUPAC8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol
SMILESCCCCCCC=C[C@H]1CCC[C@@H]1CC=CCCCC(CO)CCC
InChIInChI=1S/C24H44O/c1-3-5-6-7-8-12-17-23-19-14-20-24(23)18-13-10-9-11-16-22(21-25)15-4-2/h10,12-13,17,22-25H,3-9,11,14-16,18-21H2,1-2H3/t22?,23-,24-/m0/s1
InChIKeyMLYKDHTVJNAYSK-VYCPFJESSA-N
MW348.62 g/mol
LogP7.45
Rot. Bonds15

About 8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol

8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol (PubChem CID 54079332) has the molecular formula C24H44O and a molecular weight of 348.62 g/mol. Its IUPAC name is 8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol.

Molecular Properties

Compound Name8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol
PubChem CID54079332
Molecular FormulaC24H44O
Molecular Weight348.62 g/mol
Exact Mass348.34
IUPAC Name8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol
SMILESCCCCCCC=C[C@H]1CCC[C@@H]1CC=CCCCC(CO)CCC
InChIInChI=1S/C24H44O/c1-3-5-6-7-8-12-17-23-19-14-20-24(23)18-13-10-9-11-16-22(21-25)15-4-2/h10,12-13,17,22-25H,3-9,11,14-16,18-21H2,1-2H3/t22?,23-,24-/m0/s1
InChIKeyMLYKDHTVJNAYSK-VYCPFJESSA-N
XLogP7.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 57.45
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 8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol?
The IUPAC name of 8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol (CID 54079332) is 8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol.
What is the SMILES notation for 8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol?
The canonical SMILES for 8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol is CCCCCCC=C[C@H]1CCC[C@@H]1CC=CCCCC(CO)CCC.
What is the InChIKey of 8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol?
The InChIKey is MLYKDHTVJNAYSK-VYCPFJESSA-N. The full InChI is InChI=1S/C24H44O/c1-3-5-6-7-8-12-17-23-19-14-20-24(23)18-13-10-9-11-16-22(21-25)15-4-2/h10,12-13,17,22-25H,3-9,11,14-16,18-21H2,1-2H3/t22?,23-,24-/m0/s1.
What are the key properties of 8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol?
8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol has a molecular weight of 348.62 g/mol, XLogP of 7.45, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R,2S)-2-oct-1-enylcyclopentyl]-2-propyloct-6-en-1-ol is sourced from PubChem (CID 54079332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).