(3S)-3-nonylcyclopentene

C14H26 — CID 90814175

IUPAC(3S)-3-nonylcyclopentene
SMILESCCCCCCCCC[C@@H]1C=CCC1
InChIInChI=1S/C14H26/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-14/h9,12,14H,2-8,10-11,13H2,1H3/t14-/m1/s1
InChIKeyPZSIFGPKDWLPFF-CQSZACIVSA-N
MW194.36 g/mol
LogP5.09
Rot. Bonds8

About (3S)-3-nonylcyclopentene

(3S)-3-nonylcyclopentene (PubChem CID 90814175) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is (3S)-3-nonylcyclopentene.

Molecular Properties

Compound Name(3S)-3-nonylcyclopentene
PubChem CID90814175
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name(3S)-3-nonylcyclopentene
SMILESCCCCCCCCC[C@@H]1C=CCC1
InChIInChI=1S/C14H26/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-14/h9,12,14H,2-8,10-11,13H2,1H3/t14-/m1/s1
InChIKeyPZSIFGPKDWLPFF-CQSZACIVSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(3R)-3-hexylcyclohexene
CID 144775192
(3S)-3-(7-methoxyheptyl)cyclopentene
CID 57194147
3-decylcyclobutene
CID 174421846
3-[(3E)-3-ethylideneheptyl]cyclopentene
CID 143683546
13-[(1R)-cyclopent-2-en-1-yl]tridecanamide
CID 141290555
3-(5-ethoxyheptyl)cyclopentene
CID 160888931
ethane;(3R)-3-ethylcyclopentene
CID 145484001
4-tetradecylcyclohexene
CID 54499913
(E)-13-cyclopent-2-en-1-yltridec-2-enoic acid
CID 21158584
13-cyclopent-2-en-1-yltridecanoic acid;piperazine
CID 54610132
2-(12-cyclopent-2-en-1-yldodecyl)-4,4-dimethyl-5H-1,3-oxazole
CID 91705170
5,5-dimethyl-3-pentylcyclohexene
CID 123264098

Frequently Asked Questions

What is the IUPAC name of (3S)-3-nonylcyclopentene?
The IUPAC name of (3S)-3-nonylcyclopentene (CID 90814175) is (3S)-3-nonylcyclopentene.
What is the SMILES notation for (3S)-3-nonylcyclopentene?
The canonical SMILES for (3S)-3-nonylcyclopentene is CCCCCCCCC[C@@H]1C=CCC1.
What is the InChIKey of (3S)-3-nonylcyclopentene?
The InChIKey is PZSIFGPKDWLPFF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H26/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-14/h9,12,14H,2-8,10-11,13H2,1H3/t14-/m1/s1.
What are the key properties of (3S)-3-nonylcyclopentene?
(3S)-3-nonylcyclopentene has a molecular weight of 194.36 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-nonylcyclopentene is sourced from PubChem (CID 90814175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).