3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol

C24H38O2 — CID 91429721

IUPAC3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol
SMILESCCCCC=CCC1C(C)CC(O)C1CCC(O)CCc1ccccc1
InChIInChI=1S/C24H38O2/c1-3-4-5-6-10-13-22-19(2)18-24(26)23(22)17-16-21(25)15-14-20-11-8-7-9-12-20/h6-12,19,21-26H,3-5,13-18H2,1-2H3
InChIKeyWAMAUOATPHDSEQ-UHFFFAOYSA-N
MW358.57 g/mol
LogP5.53
Rot. Bonds11

About 3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol

3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol (PubChem CID 91429721) has the molecular formula C24H38O2 and a molecular weight of 358.57 g/mol. Its IUPAC name is 3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol
PubChem CID91429721
Molecular FormulaC24H38O2
Molecular Weight358.57 g/mol
Exact Mass358.29
IUPAC Name3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol
SMILESCCCCC=CCC1C(C)CC(O)C1CCC(O)CCc1ccccc1
InChIInChI=1S/C24H38O2/c1-3-4-5-6-10-13-22-19(2)18-24(26)23(22)17-16-21(25)15-14-20-11-8-7-9-12-20/h6-12,19,21-26H,3-5,13-18H2,1-2H3
InChIKeyWAMAUOATPHDSEQ-UHFFFAOYSA-N
XLogP5.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-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

4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol
CID 91525648
(Z)-7-[(1S,2R,3R,5S)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-methylcyclopentyl]hept-5-enoic acid
CID 118372718
7-[5-hydroxy-2-(3-hydroxy-5-phenylpentyl)-3-methylcyclopentyl]hept-5-enoic acid
CID 123405153
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid;dihydrochloride
CID 138503362
propyl (E)-7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoate
CID 21057375
(1S,3R,4R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-propylcyclopentane-1,3-diol
CID 129205006
propan-2-yl (Z)-7-[(1S,2R,3R,5S)-3-hydroxy-5-methyl-2-[(3R)-3-methyl-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 70958049
2-hydroxypropyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 70946574
2-[2-[2-[(Z)-7-[(1S,2S,3S,5R)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoyl]oxyethoxy]ethoxy]ethyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 157026745
(1S,3R,5R)-4-[(3R)-3-hydroxy-5-phenylpentyl]-5-(2-hydroxypropyl)cyclopentane-1,3-diol
CID 143063579
acetic acid;2-(diethylamino)ethyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 24856666
[3-hydroxy-2-(hydroxymethyl)propanoyl] (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 90141827

Frequently Asked Questions

What is the IUPAC name of 3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol?
The IUPAC name of 3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol (CID 91429721) is 3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol.
What is the SMILES notation for 3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol?
The canonical SMILES for 3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol is CCCCC=CCC1C(C)CC(O)C1CCC(O)CCc1ccccc1.
What is the InChIKey of 3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol?
The InChIKey is WAMAUOATPHDSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O2/c1-3-4-5-6-10-13-22-19(2)18-24(26)23(22)17-16-21(25)15-14-20-11-8-7-9-12-20/h6-12,19,21-26H,3-5,13-18H2,1-2H3.
What are the key properties of 3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol?
3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol has a molecular weight of 358.57 g/mol, XLogP of 5.53, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol is sourced from PubChem (CID 91429721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).