1-butylcyclononene

C13H24 — CID 56981158

IUPAC1-butylcyclononene
SMILESCCCCC1=CCCCCCCC1
InChIInChI=1S/C13H24/c1-2-3-10-13-11-8-6-4-5-7-9-12-13/h11H,2-10,12H2,1H3
InChIKeyFKNPXBYLQNGKJV-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.85
Rot. Bonds3

About 1-butylcyclononene

1-butylcyclononene (PubChem CID 56981158) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-butylcyclononene.

Molecular Properties

Compound Name1-butylcyclononene
PubChem CID56981158
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-butylcyclononene
SMILESCCCCC1=CCCCCCCC1
InChIInChI=1S/C13H24/c1-2-3-10-13-11-8-6-4-5-7-9-12-13/h11H,2-10,12H2,1H3
InChIKeyFKNPXBYLQNGKJV-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-pentylcyclododecene
CID 150654776
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
1-octylcyclohexene
CID 519088
1-octadec-9-enylcyclohexene
CID 123690376
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-(5-methyltridecyl)cyclopentene
CID 142058433
2-(cyclohepten-1-yl)ethanamine;hydrochloride
CID 75421023
1-hex-5-enylcyclohexene
CID 123683483
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
CID 103096944
1-hexylcyclobutene
CID 86205685
2-(cyclohexen-1-yl)ethyl-trimethylsilane
CID 18764452

Frequently Asked Questions

What is the IUPAC name of 1-butylcyclononene?
The IUPAC name of 1-butylcyclononene (CID 56981158) is 1-butylcyclononene.
What is the SMILES notation for 1-butylcyclononene?
The canonical SMILES for 1-butylcyclononene is CCCCC1=CCCCCCCC1.
What is the InChIKey of 1-butylcyclononene?
The InChIKey is FKNPXBYLQNGKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-2-3-10-13-11-8-6-4-5-7-9-12-13/h11H,2-10,12H2,1H3.
What are the key properties of 1-butylcyclononene?
1-butylcyclononene has a molecular weight of 180.33 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylcyclononene is sourced from PubChem (CID 56981158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).