4,4-dibutyl-1-methylcyclohexene

C15H28 — CID 134980287

IUPAC4,4-dibutyl-1-methylcyclohexene
SMILESCCCCC1(CCCC)CC=C(C)CC1
InChIInChI=1S/C15H28/c1-4-6-10-15(11-7-5-2)12-8-14(3)9-13-15/h8H,4-7,9-13H2,1-3H3
InChIKeyHUPZZDDMTHMPRX-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.48
Rot. Bonds6

About 4,4-dibutyl-1-methylcyclohexene

4,4-dibutyl-1-methylcyclohexene (PubChem CID 134980287) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 4,4-dibutyl-1-methylcyclohexene.

Molecular Properties

Compound Name4,4-dibutyl-1-methylcyclohexene
PubChem CID134980287
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name4,4-dibutyl-1-methylcyclohexene
SMILESCCCCC1(CCCC)CC=C(C)CC1
InChIInChI=1S/C15H28/c1-4-6-10-15(11-7-5-2)12-8-14(3)9-13-15/h8H,4-7,9-13H2,1-3H3
InChIKeyHUPZZDDMTHMPRX-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.48
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-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(+)-Limonene
CID 440917
Limonene, (-)-
CID 439250
3-Carene
CID 26049
(+)-3-Carene
CID 443156
Beta-Bisabolene
CID 10104370
Elemene
CID 12309449
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Bisabolene
CID 86597
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
(-)-3-Carene
CID 442461
2-Carene, (+)-
CID 78249

Frequently Asked Questions

What is the IUPAC name of 4,4-dibutyl-1-methylcyclohexene?
The IUPAC name of 4,4-dibutyl-1-methylcyclohexene (CID 134980287) is 4,4-dibutyl-1-methylcyclohexene.
What is the SMILES notation for 4,4-dibutyl-1-methylcyclohexene?
The canonical SMILES for 4,4-dibutyl-1-methylcyclohexene is CCCCC1(CCCC)CC=C(C)CC1.
What is the InChIKey of 4,4-dibutyl-1-methylcyclohexene?
The InChIKey is HUPZZDDMTHMPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-4-6-10-15(11-7-5-2)12-8-14(3)9-13-15/h8H,4-7,9-13H2,1-3H3.
What are the key properties of 4,4-dibutyl-1-methylcyclohexene?
4,4-dibutyl-1-methylcyclohexene has a molecular weight of 208.39 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibutyl-1-methylcyclohexene is sourced from PubChem (CID 134980287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).