3-nonylcyclohexene

C15H28 — CID 519087

IUPAC3-nonylcyclohexene
SMILESCCCCCCCCCC1C=CCCC1
InChIInChI=1S/C15H28/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h10,13,15H,2-9,11-12,14H2,1H3
InChIKeyXSGZETBAMREIMI-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.48
Rot. Bonds8

About 3-nonylcyclohexene

3-nonylcyclohexene (PubChem CID 519087) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 3-nonylcyclohexene.

Molecular Properties

Compound Name3-nonylcyclohexene
PubChem CID519087
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name3-nonylcyclohexene
SMILESCCCCCCCCCC1C=CCCC1
InChIInChI=1S/C15H28/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h10,13,15H,2-9,11-12,14H2,1H3
InChIKeyXSGZETBAMREIMI-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.48
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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Frequently Asked Questions

What is the IUPAC name of 3-nonylcyclohexene?
The IUPAC name of 3-nonylcyclohexene (CID 519087) is 3-nonylcyclohexene.
What is the SMILES notation for 3-nonylcyclohexene?
The canonical SMILES for 3-nonylcyclohexene is CCCCCCCCCC1C=CCCC1.
What is the InChIKey of 3-nonylcyclohexene?
The InChIKey is XSGZETBAMREIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h10,13,15H,2-9,11-12,14H2,1H3.
What are the key properties of 3-nonylcyclohexene?
3-nonylcyclohexene has a molecular weight of 208.39 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonylcyclohexene is sourced from PubChem (CID 519087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).