1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol

C24H36O2 — CID 123550765

IUPAC1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol
SMILESCOC(O)CCCC=CCC1CCCC1C=CCCCc1ccccc1
InChIInChI=1S/C24H36O2/c1-26-24(25)20-11-3-2-9-16-22-18-12-19-23(22)17-10-5-8-15-21-13-6-4-7-14-21/h2,4,6-7,9-10,13-14,17,22-25H,3,5,8,11-12,15-16,18-20H2,1H3
InChIKeyHQKYTFDDUKQBQL-UHFFFAOYSA-N
MW356.55 g/mol
LogP6.06
Rot. Bonds12

About 1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol

1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol (PubChem CID 123550765) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is 1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol.

Molecular Properties

Compound Name1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol
PubChem CID123550765
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Name1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol
SMILESCOC(O)CCCC=CCC1CCCC1C=CCCCc1ccccc1
InChIInChI=1S/C24H36O2/c1-26-24(25)20-11-3-2-9-16-22-18-12-19-23(22)17-10-5-8-15-21-13-6-4-7-14-21/h2,4,6-7,9-10,13-14,17,22-25H,3,5,8,11-12,15-16,18-20H2,1H3
InChIKeyHQKYTFDDUKQBQL-UHFFFAOYSA-N
XLogP6.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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
[(E)-1-[(2R)-2-[(Z)-7-(ethylamino)-7-oxohept-2-enyl]cyclopentyl]-5-phenylpent-1-en-3-yl] formate
CID 139437236
(Z)-6-[2-(5-phenylpentyl)cyclopentyl]hex-5-enoic acid
CID 144709528
propan-2-yl 7-[2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoate
CID 91445561
(Z)-7-[(1R)-2-[(1E)-7-phenylhepta-1,6-dienyl]cyclopentyl]hept-5-enoic acid;propane
CID 142043708
methyl (2S)-2-(4-phenylbut-1-enyl)cyclopentane-1-carboxylate
CID 54553622
(Z)-2,2-dihydroxy-7-[(2R)-2-[(E)-1-methoxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enamide
CID 67584393
8-[(1R,2S)-2-oct-1-enylcyclopentyl]oct-6-en-1-ol
CID 54134891
(Z)-2-methyl-7-[(1R,2S)-2-[(E)-oct-1-enyl]cyclopentyl]hept-5-en-1-ol
CID 70607428
2-[(1R)-2-(5-phenylpentyl)cyclopentyl]ethane-1,1-diol
CID 142188732
(Z)-N-ethylhept-5-enamide;2-[(E)-5-phenylpent-1-enyl]cyclopentan-1-ol
CID 144501828
butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid
CID 143063574

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol?
The IUPAC name of 1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol (CID 123550765) is 1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol.
What is the SMILES notation for 1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol?
The canonical SMILES for 1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol is COC(O)CCCC=CCC1CCCC1C=CCCCc1ccccc1.
What is the InChIKey of 1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol?
The InChIKey is HQKYTFDDUKQBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O2/c1-26-24(25)20-11-3-2-9-16-22-18-12-19-23(22)17-10-5-8-15-21-13-6-4-7-14-21/h2,4,6-7,9-10,13-14,17,22-25H,3,5,8,11-12,15-16,18-20H2,1H3.
What are the key properties of 1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol?
1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol has a molecular weight of 356.55 g/mol, XLogP of 6.06, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7-[2-(5-phenylpent-1-enyl)cyclopentyl]hept-5-en-1-ol is sourced from PubChem (CID 123550765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).