(Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one

C24H34O — CID 129189388

IUPAC(Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one
SMILESCC(=O)CCC/C=C\C[C@H]1CCC[C@@H]1/C=C/CCCc1ccccc1
InChIInChI=1S/C24H34O/c1-21(25)13-6-2-3-10-17-23-19-12-20-24(23)18-11-5-9-16-22-14-7-4-8-15-22/h3-4,7-8,10-11,14-15,18,23-24H,2,5-6,9,12-13,16-17,19-20H2,1H3/b10-3-,18-11+/t23-,24-/m0/s1
InChIKeyMTTZLMWICOMPMQ-RHRSMMIQSA-N
MW338.53 g/mol
LogP6.69
Rot. Bonds11

About (Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one

(Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one (PubChem CID 129189388) has the molecular formula C24H34O and a molecular weight of 338.53 g/mol. Its IUPAC name is (Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one.

Molecular Properties

Compound Name(Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one
PubChem CID129189388
Molecular FormulaC24H34O
Molecular Weight338.53 g/mol
Exact Mass338.26
IUPAC Name(Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one
SMILESCC(=O)CCC/C=C\C[C@H]1CCC[C@@H]1/C=C/CCCc1ccccc1
InChIInChI=1S/C24H34O/c1-21(25)13-6-2-3-10-17-23-19-12-20-24(23)18-11-5-9-16-22-14-7-4-8-15-22/h3-4,7-8,10-11,14-15,18,23-24H,2,5-6,9,12-13,16-17,19-20H2,1H3/b10-3-,18-11+/t23-,24-/m0/s1
InChIKeyMTTZLMWICOMPMQ-RHRSMMIQSA-N
XLogP6.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.53
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one with MolForge

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Launch Full Analysis

Related Compounds

Benzyl acetone
CID 17355
Phenylacetone
CID 7678
4-Methyl-1-phenyl-2-pentanone
CID 219672
3-Benzyl-4-heptanone
CID 5463905
Vetikon
CID 81898
1-Phenyl-2-hexanone
CID 33191
1-Phenyl-2-butanone
CID 13879
3-Phenylbutan-2-one
CID 97744
3-Hexanone, 5-methyl-5-phenyl-
CID 78639
2-Benzylidenecyclopentanone
CID 1551028
2-Hexanone, 6-phenyl-
CID 26530
1-Phenylpentan-3-one
CID 88701

Frequently Asked Questions

What is the IUPAC name of (Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one?
The IUPAC name of (Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one (CID 129189388) is (Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one.
What is the SMILES notation for (Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one?
The canonical SMILES for (Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one is CC(=O)CCC/C=C\C[C@H]1CCC[C@@H]1/C=C/CCCc1ccccc1.
What is the InChIKey of (Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one?
The InChIKey is MTTZLMWICOMPMQ-RHRSMMIQSA-N. The full InChI is InChI=1S/C24H34O/c1-21(25)13-6-2-3-10-17-23-19-12-20-24(23)18-11-5-9-16-22-14-7-4-8-15-22/h3-4,7-8,10-11,14-15,18,23-24H,2,5-6,9,12-13,16-17,19-20H2,1H3/b10-3-,18-11+/t23-,24-/m0/s1.
What are the key properties of (Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one?
(Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one has a molecular weight of 338.53 g/mol, XLogP of 6.69, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-[(1R,2S)-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]oct-6-en-2-one is sourced from PubChem (CID 129189388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).