(3S)-3-(7-methoxyheptyl)cyclopentene

C13H24O — CID 57194147

IUPAC(3S)-3-(7-methoxyheptyl)cyclopentene
SMILESCOCCCCCCC[C@@H]1C=CCC1
InChIInChI=1S/C13H24O/c1-14-12-8-4-2-3-5-9-13-10-6-7-11-13/h6,10,13H,2-5,7-9,11-12H2,1H3/t13-/m1/s1
InChIKeyZVWPIDAZYQBYHP-CYBMUJFWSA-N
MW196.33 g/mol
LogP3.94
Rot. Bonds8

About (3S)-3-(7-methoxyheptyl)cyclopentene

(3S)-3-(7-methoxyheptyl)cyclopentene (PubChem CID 57194147) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (3S)-3-(7-methoxyheptyl)cyclopentene.

Molecular Properties

Compound Name(3S)-3-(7-methoxyheptyl)cyclopentene
PubChem CID57194147
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(3S)-3-(7-methoxyheptyl)cyclopentene
SMILESCOCCCCCCC[C@@H]1C=CCC1
InChIInChI=1S/C13H24O/c1-14-12-8-4-2-3-5-9-13-10-6-7-11-13/h6,10,13H,2-5,7-9,11-12H2,1H3/t13-/m1/s1
InChIKeyZVWPIDAZYQBYHP-CYBMUJFWSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.94
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'}

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Related Compounds

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CID 90814175
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3-(2-sulfanyloxyethyl)cyclopentene
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(3R)-3-hexylcyclohexene
CID 144775192
methyl 3-[(1S)-cyclopent-2-en-1-yl]propanoate
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CID 70552607
(E)-13-cyclopent-2-en-1-yltridec-2-enoic acid
CID 21158584
2-(12-cyclopent-2-en-1-yldodecyl)-4,4-dimethyl-5H-1,3-oxazole
CID 91705170
5-(5-methoxypentyl)-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 162562365
3-(3-methoxypropoxy)cyclohexene
CID 141179589
ethane;(3R)-3-ethylcyclopentene
CID 145484001

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(7-methoxyheptyl)cyclopentene?
The IUPAC name of (3S)-3-(7-methoxyheptyl)cyclopentene (CID 57194147) is (3S)-3-(7-methoxyheptyl)cyclopentene.
What is the SMILES notation for (3S)-3-(7-methoxyheptyl)cyclopentene?
The canonical SMILES for (3S)-3-(7-methoxyheptyl)cyclopentene is COCCCCCCC[C@@H]1C=CCC1.
What is the InChIKey of (3S)-3-(7-methoxyheptyl)cyclopentene?
The InChIKey is ZVWPIDAZYQBYHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H24O/c1-14-12-8-4-2-3-5-9-13-10-6-7-11-13/h6,10,13H,2-5,7-9,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (3S)-3-(7-methoxyheptyl)cyclopentene?
(3S)-3-(7-methoxyheptyl)cyclopentene has a molecular weight of 196.33 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(7-methoxyheptyl)cyclopentene is sourced from PubChem (CID 57194147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).