1-(3-ethylcyclohexyl)butan-2-ol

C12H24O — CID 79424228

IUPAC1-(3-ethylcyclohexyl)butan-2-ol
SMILESCCC(O)CC1CCCC(CC)C1
InChIInChI=1S/C12H24O/c1-3-10-6-5-7-11(8-10)9-12(13)4-2/h10-13H,3-9H2,1-2H3
InChIKeyPMLAYAGYIUNREH-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds4

About 1-(3-ethylcyclohexyl)butan-2-ol

1-(3-ethylcyclohexyl)butan-2-ol (PubChem CID 79424228) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)butan-2-ol.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)butan-2-ol
PubChem CID79424228
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-(3-ethylcyclohexyl)butan-2-ol
SMILESCCC(O)CC1CCCC(CC)C1
InChIInChI=1S/C12H24O/c1-3-10-6-5-7-11(8-10)9-12(13)4-2/h10-13H,3-9H2,1-2H3
InChIKeyPMLAYAGYIUNREH-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-cyclohexylbutan-2-ol
CID 59949714
2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078
4-(3-ethylcyclohexyl)butan-2-ol
CID 64515545
1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112699179
(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167112853
(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167126196
ethylcyclobutane;propane-1,2,3-triol
CID 23171105
(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115808432
(2S)-1-(4-methylcyclohexyl)butan-2-ol
CID 67556364
1-ethyl-3-propylcyclohexane
CID 22129036
2-chloro-1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112575163

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)butan-2-ol?
The IUPAC name of 1-(3-ethylcyclohexyl)butan-2-ol (CID 79424228) is 1-(3-ethylcyclohexyl)butan-2-ol.
What is the SMILES notation for 1-(3-ethylcyclohexyl)butan-2-ol?
The canonical SMILES for 1-(3-ethylcyclohexyl)butan-2-ol is CCC(O)CC1CCCC(CC)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)butan-2-ol?
The InChIKey is PMLAYAGYIUNREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-10-6-5-7-11(8-10)9-12(13)4-2/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-(3-ethylcyclohexyl)butan-2-ol?
1-(3-ethylcyclohexyl)butan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)butan-2-ol is sourced from PubChem (CID 79424228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).