(Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid

C23H34O3 — CID 142078244

IUPAC(Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1CC[C@@H](O)[C@@H]1CCCCCc1ccccc1
InChIInChI=1S/C23H34O3/c24-22-18-17-20(14-8-1-2-10-16-23(25)26)21(22)15-9-4-7-13-19-11-5-3-6-12-19/h1,3,5-6,8,11-12,20-22,24H,2,4,7,9-10,13-18H2,(H,25,26)/b8-1-/t20-,21+,22+/m0/s1
InChIKeyXIHIKTPWKBDTRU-KRHJVALNSA-N
MW358.52 g/mol
LogP5.38
Rot. Bonds12

About (Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid

(Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid (PubChem CID 142078244) has the molecular formula C23H34O3 and a molecular weight of 358.52 g/mol. Its IUPAC name is (Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid
PubChem CID142078244
Molecular FormulaC23H34O3
Molecular Weight358.52 g/mol
Exact Mass358.25
IUPAC Name(Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid
SMILESO=C(O)CCC/C=C\C[C@H]1CC[C@@H](O)[C@@H]1CCCCCc1ccccc1
InChIInChI=1S/C23H34O3/c24-22-18-17-20(14-8-1-2-10-16-23(25)26)21(22)15-9-4-7-13-19-11-5-3-6-12-19/h1,3,5-6,8,11-12,20-22,24H,2,4,7,9-10,13-18H2,(H,25,26)/b8-1-/t20-,21+,22+/m0/s1
InChIKeyXIHIKTPWKBDTRU-KRHJVALNSA-N
XLogP5.38
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.52
LogP ≤ 55.38
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'}

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Launch Full Analysis

Related Compounds

ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid
CID 144918300
butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid
CID 143063574
7-[(1R,2R,3R)-2-[(3R)-5-(3-chlorophenyl)-3-hydroxypentyl]-3-hydroxycyclopentyl]hept-5-enoic acid
CID 91163530
(Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid
CID 144709528
(Z)-7-[2-hydroxy-5-(3-hydroxy-5-phenylpent-1-enyl)cyclopentyl]hept-5-enoic acid
CID 67816140
methyl (Z)-7-[(1R,2R,3R,5S)-3-amino-5-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoate
CID 90434779
(Z)-7-[(1R,2R,3S,4S)-3-[2-(3-phenylpropylsulfinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70510239
4-methyl-2-(7-oxooct-2-enyl)-3-(5-phenylpentyl)cyclopentan-1-one
CID 91200848
(Z)-7-[(1S,2S,3S,4R)-3-[[[2-(5-phenylpentanoylamino)acetyl]amino]methyl]-7-thiabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70407943
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-5-phenyl-3-phosphanyloxypentyl]cyclopentyl]hept-5-enoic acid
CID 91159489
(Z)-7-[(1R,2R,3R,4S)-3-(3-phenylpropylsulfanylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 70509223
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoic acid;dihydrochloride
CID 138503362

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid (CID 142078244) is (Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid is O=C(O)CCC/C=C\C[C@H]1CC[C@@H](O)[C@@H]1CCCCCc1ccccc1.
What is the InChIKey of (Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid?
The InChIKey is XIHIKTPWKBDTRU-KRHJVALNSA-N. The full InChI is InChI=1S/C23H34O3/c24-22-18-17-20(14-8-1-2-10-16-23(25)26)21(22)15-9-4-7-13-19-11-5-3-6-12-19/h1,3,5-6,8,11-12,20-22,24H,2,4,7,9-10,13-18H2,(H,25,26)/b8-1-/t20-,21+,22+/m0/s1.
What are the key properties of (Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid?
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid has a molecular weight of 358.52 g/mol, XLogP of 5.38, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 142078244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).