1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane

C18H32 — CID 139971599

IUPAC1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1CCC(C2CCC2)(C2CCC2)CC1
InChIInChI=1S/C18H32/c1-14(2)13-15-9-11-18(12-10-15,16-5-3-6-16)17-7-4-8-17/h14-17H,3-13H2,1-2H3
InChIKeyMNQPPNWONGHQFP-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.81
Rot. Bonds4

About 1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane

1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane (PubChem CID 139971599) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane
PubChem CID139971599
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1CCC(C2CCC2)(C2CCC2)CC1
InChIInChI=1S/C18H32/c1-14(2)13-15-9-11-18(12-10-15,16-5-3-6-16)17-7-4-8-17/h14-17H,3-13H2,1-2H3
InChIKeyMNQPPNWONGHQFP-UHFFFAOYSA-N
XLogP5.81
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 ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(6R,9S)-2-(2-deuterioethyl)-2-(deuteriomethyl)-6-methyl-9-propan-2-ylspiro[3.5]nonane
CID 139233781
1,2,3,4,5,6-Hexamethylbicyclo[2.2.0]hexane
CID 20693459
1,4-Diethylbicyclo[2.2.0]hexane
CID 123634902
(1R,3R)-2-[2-[4-(2-fluorobutyl)-1,2-dimethyl-2-propan-2-ylcyclobutyl]ethyl]-2,4-dimethylbicyclo[1.1.1]pentane
CID 139541294
2-Methyl-8-[4-(3,4,5-trifluorocyclohexyl)cyclohexyl]dispiro[3.1.36.14]decane
CID 141811210
[5-Ethyl-7-(2-fluoro-3,3-dimethyl-4-propan-2-ylcyclobutyl)heptan-2-yl]cyclohexane
CID 167067598
2-[3-(4,4-Difluorocyclohexyl)butyl]-2-methyl-6-propan-2-ylspiro[3.3]heptane
CID 170413071
2,2-Difluoro-6-methylspiro[3.3]heptane;ethane;4-ethyl-1,1-dimethylcyclohexane
CID 178126072
1-Propan-2-yl-3-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
CID 10513035
1-Cyclohexyl-3-(3-cyclohexyl-1-bicyclo[1.1.1]pentanyl)bicyclo[1.1.1]pentane
CID 10614048
t-Butylcubylcubane
CID 14197532
Hexaspiro[3.0.35.0.39.0.313.0.317.0.321.04]tetracosane
CID 14899878

Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane?
The IUPAC name of 1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane (CID 139971599) is 1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane.
What is the SMILES notation for 1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane?
The canonical SMILES for 1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane is CC(C)CC1CCC(C2CCC2)(C2CCC2)CC1.
What is the InChIKey of 1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane?
The InChIKey is MNQPPNWONGHQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-14(2)13-15-9-11-18(12-10-15,16-5-3-6-16)17-7-4-8-17/h14-17H,3-13H2,1-2H3.
What are the key properties of 1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane?
1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane has a molecular weight of 248.45 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 139971599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).