1-butyl-4,4-dimethylcyclohexan-1-ol

C12H24O — CID 14087173

IUPAC1-butyl-4,4-dimethylcyclohexan-1-ol
SMILESCCCCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C12H24O/c1-4-5-6-12(13)9-7-11(2,3)8-10-12/h13H,4-10H2,1-3H3
InChIKeyVMSQVRFZRPFUJR-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.51
Rot. Bonds3

About 1-butyl-4,4-dimethylcyclohexan-1-ol

1-butyl-4,4-dimethylcyclohexan-1-ol (PubChem CID 14087173) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-butyl-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-butyl-4,4-dimethylcyclohexan-1-ol
PubChem CID14087173
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-butyl-4,4-dimethylcyclohexan-1-ol
SMILESCCCCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C12H24O/c1-4-5-6-12(13)9-7-11(2,3)8-10-12/h13H,4-10H2,1-3H3
InChIKeyVMSQVRFZRPFUJR-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-butyl-4,4-dimethylcyclohexan-1-ol (CID 14087173) is 1-butyl-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-butyl-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-butyl-4,4-dimethylcyclohexan-1-ol is CCCCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 1-butyl-4,4-dimethylcyclohexan-1-ol?
The InChIKey is VMSQVRFZRPFUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-4-5-6-12(13)9-7-11(2,3)8-10-12/h13H,4-10H2,1-3H3.
What are the key properties of 1-butyl-4,4-dimethylcyclohexan-1-ol?
1-butyl-4,4-dimethylcyclohexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 14087173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).