3,3-dibutylcyclohexene

C14H26 — CID 174543750

IUPAC3,3-dibutylcyclohexene
SMILESCCCCC1(CCCC)C=CCCC1
InChIInChI=1S/C14H26/c1-3-5-10-14(11-6-4-2)12-8-7-9-13-14/h8,12H,3-7,9-11,13H2,1-2H3
InChIKeyBKWHZTUCEXGGIQ-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.09
Rot. Bonds6

About 3,3-dibutylcyclohexene

3,3-dibutylcyclohexene (PubChem CID 174543750) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3,3-dibutylcyclohexene.

Molecular Properties

Compound Name3,3-dibutylcyclohexene
PubChem CID174543750
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3,3-dibutylcyclohexene
SMILESCCCCC1(CCCC)C=CCCC1
InChIInChI=1S/C14H26/c1-3-5-10-14(11-6-4-2)12-8-7-9-13-14/h8,12H,3-7,9-11,13H2,1-2H3
InChIKeyBKWHZTUCEXGGIQ-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.09
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

2-(1-ethylcyclohex-2-en-1-yl)ethanol
CID 11651183
1-nonylcyclohex-2-en-1-amine
CID 57359777
1-heptylcyclohex-2-en-1-ol
CID 86052671
3-ethyl-3-propylcyclopentene
CID 142005402
4,4-dibutylcyclohex-2-en-1-one
CID 14836303
1-(1-butylcyclohex-2-en-1-yl)-6-octadec-9-enylcyclohexene
CID 173156406
2-butyl-1-ethyl-2-azaspiro[5.5]undec-10-ene
CID 20508991
1-pentan-2-ylcyclohex-2-en-1-ol
CID 107892794
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
1-butyl-4,4-difluorocyclohex-2-en-1-ol
CID 165497636
3-methyl-3-methylcyclohexene
CID 163592791
(1Z)-6,6,9,9-tetramethylcyclododecene
CID 5462910

Frequently Asked Questions

What is the IUPAC name of 3,3-dibutylcyclohexene?
The IUPAC name of 3,3-dibutylcyclohexene (CID 174543750) is 3,3-dibutylcyclohexene.
What is the SMILES notation for 3,3-dibutylcyclohexene?
The canonical SMILES for 3,3-dibutylcyclohexene is CCCCC1(CCCC)C=CCCC1.
What is the InChIKey of 3,3-dibutylcyclohexene?
The InChIKey is BKWHZTUCEXGGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-3-5-10-14(11-6-4-2)12-8-7-9-13-14/h8,12H,3-7,9-11,13H2,1-2H3.
What are the key properties of 3,3-dibutylcyclohexene?
3,3-dibutylcyclohexene has a molecular weight of 194.36 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibutylcyclohexene is sourced from PubChem (CID 174543750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).