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

C21H38O — CID 54134891

IUPAC8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
SMILESCCCCCCC=C[C@H]1CCC[C@@H]1CC=CCCCCCO
InChIInChI=1S/C21H38O/c1-2-3-4-5-8-11-15-20-17-14-18-21(20)16-12-9-6-7-10-13-19-22/h9,11-12,15,20-22H,2-8,10,13-14,16-19H2,1H3/t20-,21-/m0/s1
InChIKeyNWZHFOHUFICBDP-SFTDATJTSA-N
MW306.53 g/mol
LogP6.43
Rot. Bonds13

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

8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol (PubChem CID 54134891) has the molecular formula C21H38O and a molecular weight of 306.53 g/mol. Its IUPAC name is 8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol.

Molecular Properties

Compound Name8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
PubChem CID54134891
Molecular FormulaC21H38O
Molecular Weight306.53 g/mol
Exact Mass306.29
IUPAC Name8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
SMILESCCCCCCC=C[C@H]1CCC[C@@H]1CC=CCCCCCO
InChIInChI=1S/C21H38O/c1-2-3-4-5-8-11-15-20-17-14-18-21(20)16-12-9-6-7-10-13-19-22/h9,11-12,15,20-22H,2-8,10,13-14,16-19H2,1H3/t20-,21-/m0/s1
InChIKeyNWZHFOHUFICBDP-SFTDATJTSA-N
XLogP6.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.53
LogP ≤ 56.43
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-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol with MolForge

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Related Compounds

trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743
(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol
CID 70607428
(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
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
[(Z)-8-[(1R,2S)-2-[(E)-dec-1-enyl]cyclopentyl]-2,2-dihydroxyoct-6-enyl] acetate
CID 70607210
4-[[(Z)-7-[(1R)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoyl]amino]butanoic acid
CID 153363841
7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
CID 22806593
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181
(Z)-8-[(1S,2R)-2-[[(1S,2S)-2-pentylcyclopropyl]methyl]cyclopropyl]oct-6-en-1-ol
CID 118026476
8-[(1S,2S)-2-octylcyclopentyl]oct-2-en-1-ol
CID 54030734

Frequently Asked Questions

What is the IUPAC name of 8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol?
The IUPAC name of 8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol (CID 54134891) is 8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol.
What is the SMILES notation for 8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol?
The canonical SMILES for 8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol is CCCCCCC=C[C@H]1CCC[C@@H]1CC=CCCCCCO.
What is the InChIKey of 8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol?
The InChIKey is NWZHFOHUFICBDP-SFTDATJTSA-N. The full InChI is InChI=1S/C21H38O/c1-2-3-4-5-8-11-15-20-17-14-18-21(20)16-12-9-6-7-10-13-19-22/h9,11-12,15,20-22H,2-8,10,13-14,16-19H2,1H3/t20-,21-/m0/s1.
What are the key properties of 8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol?
8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol has a molecular weight of 306.53 g/mol, XLogP of 6.43, 13 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]oct-6-en-1-ol is sourced from PubChem (CID 54134891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).