4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol

C14H28O2 — CID 114496727

IUPAC4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(CC(C)(O)C(C)C)C1
InChIInChI=1S/C14H28O2/c1-5-11-6-7-13(15)12(8-11)9-14(4,16)10(2)3/h10-13,15-16H,5-9H2,1-4H3
InChIKeyYGDSZQLNSICJLV-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.97
Rot. Bonds4

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

4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol (PubChem CID 114496727) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol
PubChem CID114496727
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol
SMILESCCC1CCC(O)C(CC(C)(O)C(C)C)C1
InChIInChI=1S/C14H28O2/c1-5-11-6-7-13(15)12(8-11)9-14(4,16)10(2)3/h10-13,15-16H,5-9H2,1-4H3
InChIKeyYGDSZQLNSICJLV-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(3-hydroxy-3-methylbutyl)cyclohexan-1-ol
CID 79422405
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 62608874
4-ethyl-2-(2-ethylbutyl)cyclohexan-1-ol
CID 82929938
2-(2-hydroxy-2-methylbutyl)-4-propylcyclohexan-1-ol
CID 114496731
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094767
4-ethyl-2-[[methyl(2-methylpropyl)amino]methyl]cyclohexan-1-ol
CID 62611284
2-dodecyl-4-ethylcyclohexan-1-ol
CID 63461251
1-(2-bicyclo[2.2.1]heptanyl)-2,3-dimethylbutan-2-ol
CID 79558507
2-[(E)-3-chloroprop-2-enyl]-4-ethylcyclohexan-1-ol
CID 107900942
4-ethyl-2-[(4-propylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 62611300
4-ethyl-2-[(4-ethylphenyl)methyl]cyclohexan-1-ol
CID 63461440
2-ethyl-4-(2-methylpropyl)cyclohexan-1-ol;2-ethyl-5-(2-methylpropyl)cyclohexan-1-ol
CID 158656489

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol (CID 114496727) is 4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol is CCC1CCC(O)C(CC(C)(O)C(C)C)C1.
What is the InChIKey of 4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol?
The InChIKey is YGDSZQLNSICJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-11-6-7-13(15)12(8-11)9-14(4,16)10(2)3/h10-13,15-16H,5-9H2,1-4H3.
What are the key properties of 4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol?
4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-hydroxy-2,3-dimethylbutyl)cyclohexan-1-ol is sourced from PubChem (CID 114496727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).