1-(2,6-dimethylcyclohexyl)butan-1-ol

C12H24O — CID 83051760

IUPAC1-(2,6-dimethylcyclohexyl)butan-1-ol
SMILESCCCC(O)C1C(C)CCCC1C
InChIInChI=1S/C12H24O/c1-4-6-11(13)12-9(2)7-5-8-10(12)3/h9-13H,4-8H2,1-3H3
InChIKeyXRGNULRUPWATKD-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.22
Rot. Bonds3

About 1-(2,6-dimethylcyclohexyl)butan-1-ol

1-(2,6-dimethylcyclohexyl)butan-1-ol (PubChem CID 83051760) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-(2,6-dimethylcyclohexyl)butan-1-ol.

Molecular Properties

Compound Name1-(2,6-dimethylcyclohexyl)butan-1-ol
PubChem CID83051760
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-(2,6-dimethylcyclohexyl)butan-1-ol
SMILESCCCC(O)C1C(C)CCCC1C
InChIInChI=1S/C12H24O/c1-4-6-11(13)12-9(2)7-5-8-10(12)3/h9-13H,4-8H2,1-3H3
InChIKeyXRGNULRUPWATKD-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-(2-methylcyclopentyl)butan-1-ol
CID 127004316
1-(2,6-dimethylcyclohexyl)-N-methylbutan-1-amine
CID 83047113
1-[(1R,2R)-2-methylcyclopentyl]pentan-1-ol
CID 102037625
1-(4-propan-2-ylcycloheptyl)butan-1-ol
CID 83050929
1-(2-methylcyclopentyl)heptan-1-ol
CID 15118791
1-(3-methyl-2-propan-2-ylcyclohexyl)propane-1,3-diol
CID 23167511
1-(3-methyloxolan-2-yl)butan-1-ol
CID 115780955
2-butan-2-yl-1,3-dimethylcyclohexane
CID 123219049
1-(2,3-dimethylcyclobutyl)butan-1-ol
CID 130831475
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
1-cyclobutylpentane-1,2-diol
CID 103454869
1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol
CID 174799868

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylcyclohexyl)butan-1-ol?
The IUPAC name of 1-(2,6-dimethylcyclohexyl)butan-1-ol (CID 83051760) is 1-(2,6-dimethylcyclohexyl)butan-1-ol.
What is the SMILES notation for 1-(2,6-dimethylcyclohexyl)butan-1-ol?
The canonical SMILES for 1-(2,6-dimethylcyclohexyl)butan-1-ol is CCCC(O)C1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylcyclohexyl)butan-1-ol?
The InChIKey is XRGNULRUPWATKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-6-11(13)12-9(2)7-5-8-10(12)3/h9-13H,4-8H2,1-3H3.
What are the key properties of 1-(2,6-dimethylcyclohexyl)butan-1-ol?
1-(2,6-dimethylcyclohexyl)butan-1-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 1-(2,6-dimethylcyclohexyl)butan-1-ol is sourced from PubChem (CID 83051760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).