1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol

C13H28O — CID 143693119

IUPAC1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol
SMILESCC(C)CC1CC(C)CCC1C.CO
InChIInChI=1S/C12H24.CH4O/c1-9(2)7-12-8-10(3)5-6-11(12)4;1-2/h9-12H,5-8H2,1-4H3;2H,1H3
InChIKeyBTERCSSUGSDOLN-UHFFFAOYSA-N
MW200.37 g/mol
LogP3.71
Rot. Bonds2

About 1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol

1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol (PubChem CID 143693119) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol.

Molecular Properties

Compound Name1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol
PubChem CID143693119
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol
SMILESCC(C)CC1CC(C)CCC1C.CO
InChIInChI=1S/C12H24.CH4O/c1-9(2)7-12-8-10(3)5-6-11(12)4;1-2/h9-12H,5-8H2,1-4H3;2H,1H3
InChIKeyBTERCSSUGSDOLN-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Methanol;pentylcyclohexane
CID 20497784
Methanol;propan-2-ylcyclohexane
CID 53411063
1,3-Dimethylcyclohexane;methanol
CID 53422897
Ethanol;1-methyl-4-propan-2-ylcyclohexane
CID 67175458
Ethanol;propan-2-ylcyclohexane
CID 67568049
Cyclohexylcyclohexane;methanol
CID 69725931
Methanol;1,1,2-trimethylcyclohexane
CID 70292509
Butan-2-ylcyclohexane;methanol
CID 91105162
Methanol;2-methylbutylcyclohexane
CID 91426413
1,2,4-Trimethylcyclohexane;hydrate
CID 141767348
1,2,4,5-Tetramethylcyclohexane;hydrate
CID 141767360
Ethane;1,2,4-trimethylcyclohexane;hydrate
CID 141768633

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol?
The IUPAC name of 1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol (CID 143693119) is 1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol.
What is the SMILES notation for 1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol?
The canonical SMILES for 1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol is CC(C)CC1CC(C)CCC1C.CO.
What is the InChIKey of 1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol?
The InChIKey is BTERCSSUGSDOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.CH4O/c1-9(2)7-12-8-10(3)5-6-11(12)4;1-2/h9-12H,5-8H2,1-4H3;2H,1H3.
What are the key properties of 1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol?
1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol has a molecular weight of 200.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(2-methylpropyl)cyclohexane;methanol is sourced from PubChem (CID 143693119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).