(Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid

C22H32O2 — CID 144709528

IUPAC(Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid
SMILESO=C(O)CCC/C=C\C1CCCC1CCCCCc1ccccc1
InChIInChI=1S/C22H32O2/c23-22(24)18-9-3-8-15-21-17-10-16-20(21)14-7-2-6-13-19-11-4-1-5-12-19/h1,4-5,8,11-12,15,20-21H,2-3,6-7,9-10,13-14,16-18H2,(H,23,24)/b15-8-
InChIKeyUTOBRKLCSWBPQZ-NVNXTCNLSA-N
MW328.50 g/mol
LogP6.02
Rot. Bonds11

About (Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid

(Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid (PubChem CID 144709528) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is (Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid.

Molecular Properties

Compound Name(Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid
PubChem CID144709528
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name(Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid
SMILESO=C(O)CCC/C=C\C1CCCC1CCCCCc1ccccc1
InChIInChI=1S/C22H32O2/c23-22(24)18-9-3-8-15-21-17-10-16-20(21)14-7-2-6-13-19-11-4-1-5-12-19/h1,4-5,8,11-12,15,20-21H,2-3,6-7,9-10,13-14,16-18H2,(H,23,24)/b15-8-
InChIKeyUTOBRKLCSWBPQZ-NVNXTCNLSA-N
XLogP6.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.02
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'}

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Related Compounds

(Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one
CID 129189388
7-[(1S,2S)-2-[(Z)-oct-1-enyl]cyclopentyl]heptanoic acid
CID 70513342
7-(2-oct-1-enylcyclopentyl)heptanoic acid
CID 54234183
(Z)-7-[(1R,2R,3R)-3-hydroxy-2-(5-phenylpentyl)cyclopentyl]hept-5-enoic acid
CID 142078244
(Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane
CID 142043708
2-[(1R)-2-(6-phenylhexyl)cyclopentyl]ethanol
CID 142188842
2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol
CID 142188732
15-phenylpentadecanoic acid
CID 2737151
(E)-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 21145257
(Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol
CID 144501828
(Z)-7-[(1R,2S)-2-[(E)-8,8,8-trihydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 172859860
7-[2-[(E)-oct-1-enyl]cyclopentyl]heptanamide
CID 21403181

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid?
The IUPAC name of (Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid (CID 144709528) is (Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid.
What is the SMILES notation for (Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid?
The canonical SMILES for (Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid is O=C(O)CCC/C=C\C1CCCC1CCCCCc1ccccc1.
What is the InChIKey of (Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid?
The InChIKey is UTOBRKLCSWBPQZ-NVNXTCNLSA-N. The full InChI is InChI=1S/C22H32O2/c23-22(24)18-9-3-8-15-21-17-10-16-20(21)14-7-2-6-13-19-11-4-1-5-12-19/h1,4-5,8,11-12,15,20-21H,2-3,6-7,9-10,13-14,16-18H2,(H,23,24)/b15-8-.
What are the key properties of (Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid?
(Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid has a molecular weight of 328.50 g/mol, XLogP of 6.02, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid is sourced from PubChem (CID 144709528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).