1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane

C13H26 — CID 158706350

IUPAC1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1(C)CCC(C)(C)CC1
InChIInChI=1S/C13H26/c1-11(2)10-13(5)8-6-12(3,4)7-9-13/h11H,6-10H2,1-5H3
InChIKeyLMDCBOAWHIORRP-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.64
Rot. Bonds2

About 1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane

1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane (PubChem CID 158706350) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane
PubChem CID158706350
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1(C)CCC(C)(C)CC1
InChIInChI=1S/C13H26/c1-11(2)10-13(5)8-6-12(3,4)7-9-13/h11H,6-10H2,1-5H3
InChIKeyLMDCBOAWHIORRP-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-methyl-4-(2-methylpropyl)piperidine
CID 63156339
4-methyl-1,4-bis(2-methylpropyl)piperidine
CID 176612276
1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane
CID 177300443
1,1-dimethylcyclopropane;1-ethyl-1-methylcyclopropane
CID 143562468
1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene
CID 142035331
N-ethyl-1-(1-methylcyclopropyl)propan-2-amine
CID 131015440
1-ethyl-1-(2-methylpropyl)cyclopropane;1-ethyl-1-propan-2-ylcyclopropane;1-methyl-1-(3-methylbutyl)cyclopropane;1-methyl-1-(2-methylpropyl)cyclopropane
CID 160667226
[3,3,5-trimethyl-5-(2-methylpropyl)cyclohexyl] cyanate
CID 162758456
2,4-dimethyl-4-(2-methylpropyl)pyrrolidine
CID 166463716
1,1,2-trimethyl-2-(2-methylpropyl)cyclopropane
CID 123147679
1-methyl-1-(2-methylbutyl)cyclopentane
CID 123846035
1-tert-butyl-4-propan-2-ylbenzene;cumene;1-methyl-1-(2-methylpropyl)cyclopropane;1-methyl-1-propan-2-ylcyclopropane;propan-2-ylcyclopropane
CID 160501995

Frequently Asked Questions

What is the IUPAC name of 1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane?
The IUPAC name of 1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane (CID 158706350) is 1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane.
What is the SMILES notation for 1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane?
The canonical SMILES for 1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane is CC(C)CC1(C)CCC(C)(C)CC1.
What is the InChIKey of 1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane?
The InChIKey is LMDCBOAWHIORRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-11(2)10-13(5)8-6-12(3,4)7-9-13/h11H,6-10H2,1-5H3.
What are the key properties of 1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane?
1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane has a molecular weight of 182.35 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 158706350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).