(4-butyl-1-methylcyclohexyl)methanol

C12H24O — CID 66025172

IUPAC(4-butyl-1-methylcyclohexyl)methanol
SMILESCCCCC1CCC(C)(CO)CC1
InChIInChI=1S/C12H24O/c1-3-4-5-11-6-8-12(2,10-13)9-7-11/h11,13H,3-10H2,1-2H3
InChIKeyXYTINHYRDFWSBB-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.37
Rot. Bonds4

About (4-butyl-1-methylcyclohexyl)methanol

(4-butyl-1-methylcyclohexyl)methanol (PubChem CID 66025172) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (4-butyl-1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name(4-butyl-1-methylcyclohexyl)methanol
PubChem CID66025172
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(4-butyl-1-methylcyclohexyl)methanol
SMILESCCCCC1CCC(C)(CO)CC1
InChIInChI=1S/C12H24O/c1-3-4-5-11-6-8-12(2,10-13)9-7-11/h11,13H,3-10H2,1-2H3
InChIKeyXYTINHYRDFWSBB-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-butyl-1-methylcyclohexyl)methyl]-2-methylpropan-2-amine
CID 63521315
1-butyl-4-(4-butylcyclohexyl)-1-methylcyclohexane
CID 18597169
2-(4-butylcyclohexyl)ethanol
CID 15085164
4-butyl-1-(chloromethyl)-1-ethylcyclohexane
CID 66035295
4-(4-butylcyclohexyl)-1-methyl-1-pentylcyclohexane
CID 18597195
[4-butyl-1-[(3,5-dimethylphenyl)methyl]cyclohexyl]methanol
CID 66026290
[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899859
4-(4-butylcyclohexyl)-1-hexyl-1-methylcyclohexane
CID 18597187
[4-butyl-1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanol
CID 66026294
1-but-3-en-2-yl-4-butylcyclohexane-1-carboxylic acid
CID 79425782
4-butyl-1-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxylic acid
CID 79424914
4-butyl-1-octylcyclohexane-1-carboxylic acid
CID 63403164

Frequently Asked Questions

What is the IUPAC name of (4-butyl-1-methylcyclohexyl)methanol?
The IUPAC name of (4-butyl-1-methylcyclohexyl)methanol (CID 66025172) is (4-butyl-1-methylcyclohexyl)methanol.
What is the SMILES notation for (4-butyl-1-methylcyclohexyl)methanol?
The canonical SMILES for (4-butyl-1-methylcyclohexyl)methanol is CCCCC1CCC(C)(CO)CC1.
What is the InChIKey of (4-butyl-1-methylcyclohexyl)methanol?
The InChIKey is XYTINHYRDFWSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-4-5-11-6-8-12(2,10-13)9-7-11/h11,13H,3-10H2,1-2H3.
What are the key properties of (4-butyl-1-methylcyclohexyl)methanol?
(4-butyl-1-methylcyclohexyl)methanol has a molecular weight of 184.32 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-1-methylcyclohexyl)methanol is sourced from PubChem (CID 66025172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).