3-(3,4-dimethylcyclohexyl)butan-2-ol

C12H24O — CID 79424372

IUPAC3-(3,4-dimethylcyclohexyl)butan-2-ol
SMILESCC(O)C(C)C1CCC(C)C(C)C1
InChIInChI=1S/C12H24O/c1-8-5-6-12(7-9(8)2)10(3)11(4)13/h8-13H,5-7H2,1-4H3
InChIKeyGGMDBTDWGKMPAG-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.08
Rot. Bonds2

About 3-(3,4-dimethylcyclohexyl)butan-2-ol

3-(3,4-dimethylcyclohexyl)butan-2-ol (PubChem CID 79424372) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-(3,4-dimethylcyclohexyl)butan-2-ol.

Molecular Properties

Compound Name3-(3,4-dimethylcyclohexyl)butan-2-ol
PubChem CID79424372
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-(3,4-dimethylcyclohexyl)butan-2-ol
SMILESCC(O)C(C)C1CCC(C)C(C)C1
InChIInChI=1S/C12H24O/c1-8-5-6-12(7-9(8)2)10(3)11(4)13/h8-13H,5-7H2,1-4H3
InChIKeyGGMDBTDWGKMPAG-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-cyclopropylbutan-2-ol
CID 175219475
2-amino-1-(3,4-dimethylcyclohexyl)propan-1-ol
CID 164658390
1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane
CID 91128405
(3,4-dimethylcyclohexyl)-(thiolan-3-yl)methanol
CID 105103138
3-(3,5-dimethylcyclohexyl)butan-2-ol
CID 79423302
3-cyclododecylbutan-2-ol
CID 10444334
3-cyclobutylbutan-2-ol
CID 54399039
(4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol
CID 65401125
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
1,2-dimethylcyclobutane;2-methylpropane
CID 143728444
2-amino-2-(3,4-dimethylcyclohexyl)acetamide
CID 64990996
4-(1-chloropropyl)-1,2-dimethylcyclohexane
CID 79307796

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylcyclohexyl)butan-2-ol?
The IUPAC name of 3-(3,4-dimethylcyclohexyl)butan-2-ol (CID 79424372) is 3-(3,4-dimethylcyclohexyl)butan-2-ol.
What is the SMILES notation for 3-(3,4-dimethylcyclohexyl)butan-2-ol?
The canonical SMILES for 3-(3,4-dimethylcyclohexyl)butan-2-ol is CC(O)C(C)C1CCC(C)C(C)C1.
What is the InChIKey of 3-(3,4-dimethylcyclohexyl)butan-2-ol?
The InChIKey is GGMDBTDWGKMPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-8-5-6-12(7-9(8)2)10(3)11(4)13/h8-13H,5-7H2,1-4H3.
What are the key properties of 3-(3,4-dimethylcyclohexyl)butan-2-ol?
3-(3,4-dimethylcyclohexyl)butan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylcyclohexyl)butan-2-ol is sourced from PubChem (CID 79424372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).