4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol

C23H36O3 — CID 91525648

IUPAC4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol
SMILESCCCC/C=C\CC1C(O)CC(O)C1CCC(O)CCc1ccccc1
InChIInChI=1S/C23H36O3/c1-2-3-4-5-9-12-20-21(23(26)17-22(20)25)16-15-19(24)14-13-18-10-7-6-8-11-18/h5-11,19-26H,2-4,12-17H2,1H3/b9-5-
InChIKeyKWTUBBMVEVQJTA-UITAMQMPSA-N
MW360.54 g/mol
LogP4.25
Rot. Bonds11

About 4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol

4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol (PubChem CID 91525648) has the molecular formula C23H36O3 and a molecular weight of 360.54 g/mol. Its IUPAC name is 4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol.

Molecular Properties

Compound Name4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol
PubChem CID91525648
Molecular FormulaC23H36O3
Molecular Weight360.54 g/mol
Exact Mass360.27
IUPAC Name4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol
SMILESCCCC/C=C\CC1C(O)CC(O)C1CCC(O)CCc1ccccc1
InChIInChI=1S/C23H36O3/c1-2-3-4-5-9-12-20-21(23(26)17-22(20)25)16-15-19(24)14-13-18-10-7-6-8-11-18/h5-11,19-26H,2-4,12-17H2,1H3/b9-5-
InChIKeyKWTUBBMVEVQJTA-UITAMQMPSA-N
XLogP4.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hept-2-enyl-2-(3-hydroxy-5-phenylpentyl)-4-methylcyclopentan-1-ol
CID 91429721
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
2-hydroxypropyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate
CID 70946574
(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
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
[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
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
CID 58960283
CID 58960283

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol?
The IUPAC name of 4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol (CID 91525648) is 4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol.
What is the SMILES notation for 4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol?
The canonical SMILES for 4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol is CCCC/C=C\CC1C(O)CC(O)C1CCC(O)CCc1ccccc1.
What is the InChIKey of 4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol?
The InChIKey is KWTUBBMVEVQJTA-UITAMQMPSA-N. The full InChI is InChI=1S/C23H36O3/c1-2-3-4-5-9-12-20-21(23(26)17-22(20)25)16-15-19(24)14-13-18-10-7-6-8-11-18/h5-11,19-26H,2-4,12-17H2,1H3/b9-5-.
What are the key properties of 4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol?
4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol has a molecular weight of 360.54 g/mol, XLogP of 4.25, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-hept-2-enyl]-5-(3-hydroxy-5-phenylpentyl)cyclopentane-1,3-diol is sourced from PubChem (CID 91525648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).