1,3-dimethyl-2-(2-methylpropyl)cyclohexane

C12H24 — CID 91143805

IUPAC1,3-dimethyl-2-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1C(C)CCCC1C
InChIInChI=1S/C12H24/c1-9(2)8-12-10(3)6-5-7-11(12)4/h9-12H,5-8H2,1-4H3
InChIKeyYBLBHBUVEMYCFC-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.10
Rot. Bonds2

About 1,3-dimethyl-2-(2-methylpropyl)cyclohexane

1,3-dimethyl-2-(2-methylpropyl)cyclohexane (PubChem CID 91143805) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name1,3-dimethyl-2-(2-methylpropyl)cyclohexane
PubChem CID91143805
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name1,3-dimethyl-2-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1C(C)CCCC1C
InChIInChI=1S/C12H24/c1-9(2)8-12-10(3)6-5-7-11(12)4/h9-12H,5-8H2,1-4H3
InChIKeyYBLBHBUVEMYCFC-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(2-methylpropyl)bicyclo[3.1.0]hexane
CID 154519615
7-(2-methylpropyl)-6-azabicyclo[3.1.1]heptane
CID 146555370
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
2-methyl-3-(2-methylpropyl)bicyclo[2.2.1]heptane
CID 59941268
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
3-ethyl-2,4-dimethyl-N-(2-methylpropyl)cycloheptan-1-amine
CID 166712350
1,2-dimethylcyclohexane;2-methylpropane
CID 143562785
1-ethyl-3-methyl-2-(2-methylpropyl)cyclobutane
CID 158664832
(1R,2R,4R)-1,4-dimethyl-2-(2-methylpropyl)cyclohexane
CID 55253031
2-methylbutane;methylcyclobutane
CID 57473841
1-methyl-2-(2-methylpropyl)cyclopropane
CID 54305717
2-(2-methylpropyl)bicyclo[1.1.0]butane
CID 123355318

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2-methylpropyl)cyclohexane?
The IUPAC name of 1,3-dimethyl-2-(2-methylpropyl)cyclohexane (CID 91143805) is 1,3-dimethyl-2-(2-methylpropyl)cyclohexane.
What is the SMILES notation for 1,3-dimethyl-2-(2-methylpropyl)cyclohexane?
The canonical SMILES for 1,3-dimethyl-2-(2-methylpropyl)cyclohexane is CC(C)CC1C(C)CCCC1C.
What is the InChIKey of 1,3-dimethyl-2-(2-methylpropyl)cyclohexane?
The InChIKey is YBLBHBUVEMYCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-9(2)8-12-10(3)6-5-7-11(12)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-2-(2-methylpropyl)cyclohexane?
1,3-dimethyl-2-(2-methylpropyl)cyclohexane has a molecular weight of 168.32 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 91143805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).