4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol

C13H26O2 — CID 79422405

IUPAC4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(CCC(C)(C)O)C1
InChIInChI=1S/C13H26O2/c1-4-10-5-6-12(14)11(9-10)7-8-13(2,3)15/h10-12,14-15H,4-9H2,1-3H3
InChIKeyBGEHODFTZZZKON-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.72
Rot. Bonds4

About 4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol

4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol (PubChem CID 79422405) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol
PubChem CID79422405
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(CCC(C)(C)O)C1
InChIInChI=1S/C13H26O2/c1-4-10-5-6-12(14)11(9-10)7-8-13(2,3)15/h10-12,14-15H,4-9H2,1-3H3
InChIKeyBGEHODFTZZZKON-UHFFFAOYSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethylcyclohexan-1-ol
CID 98251
4-Menthane-1,7,8-triol
CID 126863
p-Menthane-1,3-diol
CID 524005
2,6-Di(propan-2-yl)cyclohexan-1-ol
CID 228312
Bicyclo(3.3.1)nonane-2,6-diol
CID 565028
Cyclohexanol, 4-sec-butyl-
CID 138718
2-(2-Ethyl-1-hydroxyhexyl)cyclohexanol
CID 246933
Cyclohexanol, 4-cyclopentyl-2-methyl-
CID 175365
4,6-Dimethylcyclohexane-1,3-diol
CID 4577933
4-(2-Hydroxypropan-2-yl)cyclohexan-1-ol
CID 58439405
4-(2-Hydroxyethyl)-1-methylcyclohexan-1-ol
CID 130125022
4-(1-Hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
CID 73809748

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol (CID 79422405) is 4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol is CCC1CCC(O)C(CCC(C)(C)O)C1.
What is the InChIKey of 4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol?
The InChIKey is BGEHODFTZZZKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-10-5-6-12(14)11(9-10)7-8-13(2,3)15/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of 4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol?
4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol is sourced from PubChem (CID 79422405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).