3-butan-2-yl-2,6-dimethylcyclohexan-1-ol

C12H24O — CID 58534554

IUPAC3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
SMILESCCC(C)C1CCC(C)C(O)C1C
InChIInChI=1S/C12H24O/c1-5-8(2)11-7-6-9(3)12(13)10(11)4/h8-13H,5-7H2,1-4H3
InChIKeyBKQOLNCMSAEJGN-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.08
Rot. Bonds2

About 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol

3-butan-2-yl-2,6-dimethylcyclohexan-1-ol (PubChem CID 58534554) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
PubChem CID58534554
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-butan-2-yl-2,6-dimethylcyclohexan-1-ol
SMILESCCC(C)C1CCC(C)C(O)C1C
InChIInChI=1S/C12H24O/c1-5-8(2)11-7-6-9(3)12(13)10(11)4/h8-13H,5-7H2,1-4H3
InChIKeyBKQOLNCMSAEJGN-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

1-butan-2-yl-2,3-dimethylcyclopentane;ethane;ethene
CID 144517503
4-butan-2-yl-1,6-dimethyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene-7,9-diol
CID 134345909
trans-(1S,6R)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
CID 70559750
trans-(3R,6S)-3-methyl-6-propan-2-ylcyclohexane-1,2-diol
CID 130927478
2-butan-2-yl-4,5-dimethylcyclohexan-1-ol
CID 58534205
2-butan-2-yl-5-cyclopentylcyclopentan-1-ol
CID 22937274
2-butan-2-yl-1,3-dimethylcyclopentane
CID 90760041
1,2,3-trimethyl-4-(5-methylheptan-2-yl)cyclohexane
CID 123804533
2-butan-2-ylcyclobutane-1-carboxylic acid
CID 81008114
2-butan-2-ylcycloheptan-1-ol
CID 23148884
1-butan-2-yl-3,4-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 123302694
4-butan-2-yl-1,1,3-trimethylcyclohexane
CID 142412996

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol?
The IUPAC name of 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol (CID 58534554) is 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol is CCC(C)C1CCC(C)C(O)C1C.
What is the InChIKey of 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol?
The InChIKey is BKQOLNCMSAEJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-8(2)11-7-6-9(3)12(13)10(11)4/h8-13H,5-7H2,1-4H3.
What are the key properties of 3-butan-2-yl-2,6-dimethylcyclohexan-1-ol?
3-butan-2-yl-2,6-dimethylcyclohexan-1-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-butan-2-yl-2,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 58534554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).