1-butan-2-yl-4,4-dimethylcyclohexan-1-ol

C12H24O — CID 79446125

IUPAC1-butan-2-yl-4,4-dimethylcyclohexan-1-ol
SMILESCCC(C)C1(O)CCC(C)(C)CC1
InChIInChI=1S/C12H24O/c1-5-10(2)12(13)8-6-11(3,4)7-9-12/h10,13H,5-9H2,1-4H3
InChIKeyLRCSPXULEQNKIZ-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds2

About 1-butan-2-yl-4,4-dimethylcyclohexan-1-ol

1-butan-2-yl-4,4-dimethylcyclohexan-1-ol (PubChem CID 79446125) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-butan-2-yl-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-butan-2-yl-4,4-dimethylcyclohexan-1-ol
PubChem CID79446125
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-butan-2-yl-4,4-dimethylcyclohexan-1-ol
SMILESCCC(C)C1(O)CCC(C)(C)CC1
InChIInChI=1S/C12H24O/c1-5-10(2)12(13)8-6-11(3,4)7-9-12/h10,13H,5-9H2,1-4H3
InChIKeyLRCSPXULEQNKIZ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-butan-2-yl-4,4-dimethylcyclohexan-1-ol (CID 79446125) is 1-butan-2-yl-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-butan-2-yl-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-butan-2-yl-4,4-dimethylcyclohexan-1-ol is CCC(C)C1(O)CCC(C)(C)CC1.
What is the InChIKey of 1-butan-2-yl-4,4-dimethylcyclohexan-1-ol?
The InChIKey is LRCSPXULEQNKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-10(2)12(13)8-6-11(3,4)7-9-12/h10,13H,5-9H2,1-4H3.
What are the key properties of 1-butan-2-yl-4,4-dimethylcyclohexan-1-ol?
1-butan-2-yl-4,4-dimethylcyclohexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79446125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).