1,2-dihexylcyclohexene

C18H34 — CID 19795043

IUPAC1,2-dihexylcyclohexene
SMILESCCCCCCC1=C(CCCCCC)CCCC1
InChIInChI=1S/C18H34/c1-3-5-7-9-13-17-15-11-12-16-18(17)14-10-8-6-4-2/h3-16H2,1-2H3
InChIKeyDEJLBAXXXXLAGO-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.80
Rot. Bonds10

About 1,2-dihexylcyclohexene

1,2-dihexylcyclohexene (PubChem CID 19795043) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1,2-dihexylcyclohexene.

Molecular Properties

Compound Name1,2-dihexylcyclohexene
PubChem CID19795043
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1,2-dihexylcyclohexene
SMILESCCCCCCC1=C(CCCCCC)CCCC1
InChIInChI=1S/C18H34/c1-3-5-7-9-13-17-15-11-12-16-18(17)14-10-8-6-4-2/h3-16H2,1-2H3
InChIKeyDEJLBAXXXXLAGO-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.80
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

(1Z)-1,2-dipentylcyclononene
CID 134981785
[(1E)-2-pentylcyclotetradecen-1-yl]methanol
CID 13438654
1-pentyl-2-(2-pentylcyclohexen-1-yl)oxycyclohexene
CID 21413591
1,2-diheptylcyclopropene
CID 557048
1-butyl-2-ethylcyclopentene
CID 154086983
(2-hexylcyclopenten-1-yl)-trimethylsilane
CID 553181
1-butyl-2-hexylcyclopropene
CID 134897823
1-butyl-2-methylcyclohexene;ethane
CID 145390002
1-bromo-2-nonylcyclopropene
CID 22621660
cyclopentanone;heptane
CID 20975482
ethane;2-ethyl-1-heptyl-3-methylcyclohexene;propane
CID 143434835
cyclopropane;octadecane
CID 174865519

Frequently Asked Questions

What is the IUPAC name of 1,2-dihexylcyclohexene?
The IUPAC name of 1,2-dihexylcyclohexene (CID 19795043) is 1,2-dihexylcyclohexene.
What is the SMILES notation for 1,2-dihexylcyclohexene?
The canonical SMILES for 1,2-dihexylcyclohexene is CCCCCCC1=C(CCCCCC)CCCC1.
What is the InChIKey of 1,2-dihexylcyclohexene?
The InChIKey is DEJLBAXXXXLAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-3-5-7-9-13-17-15-11-12-16-18(17)14-10-8-6-4-2/h3-16H2,1-2H3.
What are the key properties of 1,2-dihexylcyclohexene?
1,2-dihexylcyclohexene has a molecular weight of 250.47 g/mol, XLogP of 6.80, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihexylcyclohexene is sourced from PubChem (CID 19795043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).