3-methyl-1-(3-methylcyclohexyl)butan-2-ol

C12H24O — CID 79422374

IUPAC3-methyl-1-(3-methylcyclohexyl)butan-2-ol
SMILESCC1CCCC(CC(O)C(C)C)C1
InChIInChI=1S/C12H24O/c1-9(2)12(13)8-11-6-4-5-10(3)7-11/h9-13H,4-8H2,1-3H3
InChIKeyWVLQUUTUVDNEIB-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.22
Rot. Bonds3

About 3-methyl-1-(3-methylcyclohexyl)butan-2-ol

3-methyl-1-(3-methylcyclohexyl)butan-2-ol (PubChem CID 79422374) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-methyl-1-(3-methylcyclohexyl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(3-methylcyclohexyl)butan-2-ol
PubChem CID79422374
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-methyl-1-(3-methylcyclohexyl)butan-2-ol
SMILESCC1CCCC(CC(O)C(C)C)C1
InChIInChI=1S/C12H24O/c1-9(2)12(13)8-11-6-4-5-10(3)7-11/h9-13H,4-8H2,1-3H3
InChIKeyWVLQUUTUVDNEIB-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
2-methyl-3-(3-methylcyclohexyl)propan-1-ol
CID 57429420
1-(3-bromo-2-methylpropyl)-3-methylcyclohexane
CID 64670996
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
2-[1-(3-methylcyclohexyl)propan-2-yloxy]ethanol
CID 175430277
3,3-dimethyl-1-[(3-methylcyclohexyl)methylamino]butan-2-ol
CID 115881231
(2R)-1-[(3-methylcyclohexyl)methylamino]propan-2-ol
CID 103884165
[(1S)-3-methylcyclohexyl]methanol
CID 89207619
1-ethyl-3-(2-methylpropyl)cyclobutane;1-ethyl-3-(2-methylpropyl)cycloheptane;1-ethyl-3-(2-methylpropyl)cyclohexane;1-ethyl-3-(2-methylpropyl)cyclopentane;1-methyl-3-(2-methylpropyl)cyclobutane;1-methyl-3-(2-methylpropyl)cycloheptane;1-methyl-3-(2-methylpropyl)cyclohexane;1-methyl-3-(2-methylpropyl)cyclopentane
CID 161373906
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol
CID 115881296

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylcyclohexyl)butan-2-ol?
The IUPAC name of 3-methyl-1-(3-methylcyclohexyl)butan-2-ol (CID 79422374) is 3-methyl-1-(3-methylcyclohexyl)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(3-methylcyclohexyl)butan-2-ol?
The canonical SMILES for 3-methyl-1-(3-methylcyclohexyl)butan-2-ol is CC1CCCC(CC(O)C(C)C)C1.
What is the InChIKey of 3-methyl-1-(3-methylcyclohexyl)butan-2-ol?
The InChIKey is WVLQUUTUVDNEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-9(2)12(13)8-11-6-4-5-10(3)7-11/h9-13H,4-8H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methylcyclohexyl)butan-2-ol?
3-methyl-1-(3-methylcyclohexyl)butan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylcyclohexyl)butan-2-ol is sourced from PubChem (CID 79422374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).