1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane

C18H32 — CID 123482308

IUPAC1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane
SMILESCC1CCC(C2CCC2)C(C(C(C)C)C2CC2)C1
InChIInChI=1S/C18H32/c1-12(2)18(15-8-9-15)17-11-13(3)7-10-16(17)14-5-4-6-14/h12-18H,4-11H2,1-3H3
InChIKeyMWHXPSNYQKAYBT-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.52
Rot. Bonds4

About 1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane

1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane (PubChem CID 123482308) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane
PubChem CID123482308
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane
SMILESCC1CCC(C2CCC2)C(C(C(C)C)C2CC2)C1
InChIInChI=1S/C18H32/c1-12(2)18(15-8-9-15)17-11-13(3)7-10-16(17)14-5-4-6-14/h12-18H,4-11H2,1-3H3
InChIKeyMWHXPSNYQKAYBT-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3,5-Trimethyl-2-octadecylcyclohexane
CID 41379
1,4-Dimethyl-3-n-octadecylcyclohexane
CID 282770
1,2-Dimethyl-3-pentyl-4-propylcyclohexane
CID 566238
1,2,3,4,5,6-Hexaethylcyclohexane
CID 519497
11-(2,5-Dimethylcyclohexyl)heneicosane
CID 296569
1,2,4,5-Tetraisopropyl-cyclohexane
CID 59236081
Cyclohexane, 1,2,3,5-tetraisopropyl-
CID 566241
(6R,9S)-2-(2-deuterioethyl)-2-(deuteriomethyl)-6-methyl-9-propan-2-ylspiro[3.5]nonane
CID 139233781
1-Dodecyl-3-(1-methylethyl)-6-methylcyclohexane
CID 129658308
4-(3,5-Dimethylheptan-4-yl)-1-[(3-fluoro-3-methylcyclobutyl)methyl]-2-(3-methylbutan-2-yl)cyclohexane
CID 130242885
8,8,13,13-Tetramethyltetraspiro[2.0.34.1.39.1.314.03]heptadecane
CID 101708951
1,3,5-Trimethyl-2-heptadecyl-cyclohexane
CID 129658250

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane?
The IUPAC name of 1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane (CID 123482308) is 1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane.
What is the SMILES notation for 1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane?
The canonical SMILES for 1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane is CC1CCC(C2CCC2)C(C(C(C)C)C2CC2)C1.
What is the InChIKey of 1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane?
The InChIKey is MWHXPSNYQKAYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-12(2)18(15-8-9-15)17-11-13(3)7-10-16(17)14-5-4-6-14/h12-18H,4-11H2,1-3H3.
What are the key properties of 1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane?
1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane has a molecular weight of 248.45 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(1-cyclopropyl-2-methylpropyl)-4-methylcyclohexane is sourced from PubChem (CID 123482308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).