Cyclohexene, 1-nonyl-

C15H28 — CID 519089

IUPAC1-nonylcyclohexene
SMILESCCCCCCCCCC1=CCCCC1
InChIInChI=1S/C15H28/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h13H,2-12,14H2,1H3
InChIKeyGTEZIRITHHEDAC-UHFFFAOYSA-N
MW208.38 g/mol
LogP6.60
Rot. Bonds8

About Cyclohexene, 1-nonyl-

Cyclohexene, 1-nonyl- (PubChem CID 519089) has the molecular formula C15H28 and a molecular weight of 208.38 g/mol. Its IUPAC name is 1-nonylcyclohexene.

Molecular Properties

Compound NameCyclohexene, 1-nonyl-
PubChem CID519089
Molecular FormulaC15H28
Molecular Weight208.38 g/mol
Exact Mass208.22
IUPAC Name1-nonylcyclohexene
SMILESCCCCCCCCCC1=CCCCC1
InChIInChI=1S/C15H28/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h13H,2-12,14H2,1H3
InChIKeyGTEZIRITHHEDAC-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity167

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.38
LogP ≤ 56.60
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 Cyclohexene, 1-nonyl-?
The IUPAC name of Cyclohexene, 1-nonyl- (CID 519089) is 1-nonylcyclohexene.
What is the SMILES notation for Cyclohexene, 1-nonyl-?
The canonical SMILES for Cyclohexene, 1-nonyl- is CCCCCCCCCC1=CCCCC1.
What is the InChIKey of Cyclohexene, 1-nonyl-?
The InChIKey is GTEZIRITHHEDAC-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/h13H,2-12,14H2,1H3.
What are the key properties of Cyclohexene, 1-nonyl-?
Cyclohexene, 1-nonyl- has a molecular weight of 208.38 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclohexene, 1-nonyl- is sourced from PubChem (CID 519089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).