2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol

C13H26O — CID 115808372

IUPAC2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol
SMILESCCC(C)(C)C(O)C1CCCC(C)C1
InChIInChI=1S/C13H26O/c1-5-13(3,4)12(14)11-8-6-7-10(2)9-11/h10-12,14H,5-9H2,1-4H3
InChIKeyBVTIVPIDPYLIGY-UHFFFAOYSA-N
MW198.35 g/mol
LogP3.61
Rot. Bonds3

About 2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol

2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol (PubChem CID 115808372) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol
PubChem CID115808372
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol
SMILESCCC(C)(C)C(O)C1CCCC(C)C1
InChIInChI=1S/C13H26O/c1-5-13(3,4)12(14)11-8-6-7-10(2)9-11/h10-12,14H,5-9H2,1-4H3
InChIKeyBVTIVPIDPYLIGY-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1-(3-methylcyclohexyl)butane-1,2-diol
CID 103449271
2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol
CID 79064908
2,2-dimethyl-1-(3-methylsulfonylcyclohexyl)butan-1-ol
CID 115822140
1-(3-methylcyclohexyl)butane-1,2-diol
CID 103454489
2-(3-methylcyclohexyl)pentan-3-ol
CID 79436238
2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol
CID 115808259
2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol
CID 79045834
(1-ethylcyclopentyl)-(3-methylcyclohexyl)methanol
CID 115808264
2-[(3R)-3-methylcyclohexyl]propane-1,3-diol;propane
CID 168973944
(3-methylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65422554
1-(1-bromopropyl)-3-methylcyclohexane
CID 79308612
1-cyclobutyl-3,3-dimethylpentan-2-ol
CID 115802513

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol (CID 115808372) is 2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol is CCC(C)(C)C(O)C1CCCC(C)C1.
What is the InChIKey of 2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol?
The InChIKey is BVTIVPIDPYLIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-13(3,4)12(14)11-8-6-7-10(2)9-11/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol?
2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol is sourced from PubChem (CID 115808372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).