1-octylcyclohexene

C14H26 — CID 519088

IUPAC1-octylcyclohexene
SMILESCCCCCCCCC1=CCCCC1
InChIInChI=1S/C14H26/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h12H,2-11,13H2,1H3
InChIKeyAHNZGLABLPCXKB-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.24
Rot. Bonds7

About 1-octylcyclohexene

1-octylcyclohexene (PubChem CID 519088) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-octylcyclohexene.

Molecular Properties

Compound Name1-octylcyclohexene
PubChem CID519088
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-octylcyclohexene
SMILESCCCCCCCCC1=CCCCC1
InChIInChI=1S/C14H26/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h12H,2-11,13H2,1H3
InChIKeyAHNZGLABLPCXKB-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.24
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

1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862
1-pentylcyclododecene
CID 150654776
1-butylcyclononene
CID 56981158
1-octadec-9-enylcyclohexene
CID 123690376
1-hexylcyclobutene
CID 86205685
1-(5-methyltridecyl)cyclopentene
CID 142058433
1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
N-[2-(cyclopenten-1-yl)ethyl]dodecan-1-amine
CID 106173944
N-[2-(cyclopenten-1-yl)ethyl]hexan-1-amine
CID 106169004
1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082

Frequently Asked Questions

What is the IUPAC name of 1-octylcyclohexene?
The IUPAC name of 1-octylcyclohexene (CID 519088) is 1-octylcyclohexene.
What is the SMILES notation for 1-octylcyclohexene?
The canonical SMILES for 1-octylcyclohexene is CCCCCCCCC1=CCCCC1.
What is the InChIKey of 1-octylcyclohexene?
The InChIKey is AHNZGLABLPCXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h12H,2-11,13H2,1H3.
What are the key properties of 1-octylcyclohexene?
1-octylcyclohexene has a molecular weight of 194.36 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octylcyclohexene is sourced from PubChem (CID 519088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).