7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol

C20H38O3 — CID 22806593

IUPAC7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
SMILESCCCCCC/C=C/[C@H]1CCC[C@@H]1CCCCCCC(O)(O)O
InChIInChI=1S/C20H38O3/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21,22)23/h9,13,18-19,21-23H,2-8,10-12,14-17H2,1H3/b13-9+/t18-,19-/m0/s1
InChIKeyNOGIPOAMJSDGEZ-QZCZHZTGSA-N
MW326.52 g/mol
LogP4.90
Rot. Bonds13

About 7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol

7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol (PubChem CID 22806593) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol.

Molecular Properties

Compound Name7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
PubChem CID22806593
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol
SMILESCCCCCC/C=C/[C@H]1CCC[C@@H]1CCCCCCC(O)(O)O
InChIInChI=1S/C20H38O3/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21,22)23/h9,13,18-19,21-23H,2-8,10-12,14-17H2,1H3/b13-9+/t18-,19-/m0/s1
InChIKeyNOGIPOAMJSDGEZ-QZCZHZTGSA-N
XLogP4.90
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.52
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol 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

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
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181
7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
trans-(1S,2R)-1-dec-1-enyl-2-hept-2-enylcyclopentane
CID 54243743
1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane
CID 173282079
2-[4-[(1R,2S)-2-non-1-enylcyclopentyl]butylsulfanyl]acetic acid
CID 57306372
2-[4-[(1R,2S)-2-dec-1-enylcyclopentyl]butylsulfanyl]acetic acid
CID 57231144
8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
CID 54134891
2-(dihydroxymethyl)-2-(2,3-dihydroxypropylsulfanyl)-7-[(1S,2S)-2-oct-1-enylcyclopentyl]heptanoic acid
CID 57311011

Frequently Asked Questions

What is the IUPAC name of 7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol?
The IUPAC name of 7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol (CID 22806593) is 7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol.
What is the SMILES notation for 7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol?
The canonical SMILES for 7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol is CCCCCC/C=C/[C@H]1CCC[C@@H]1CCCCCCC(O)(O)O.
What is the InChIKey of 7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol?
The InChIKey is NOGIPOAMJSDGEZ-QZCZHZTGSA-N. The full InChI is InChI=1S/C20H38O3/c1-2-3-4-5-6-9-13-18-15-12-16-19(18)14-10-7-8-11-17-20(21,22)23/h9,13,18-19,21-23H,2-8,10-12,14-17H2,1H3/b13-9+/t18-,19-/m0/s1.
What are the key properties of 7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol?
7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol has a molecular weight of 326.52 g/mol, XLogP of 4.90, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,2S)-2-[(E)-oct-1-enyl]cyclopentyl]heptane-1,1,1-triol is sourced from PubChem (CID 22806593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).