2-cyclohexyl-4-ethylhexan-2-ol

C14H28O — CID 114794849

IUPAC2-cyclohexyl-4-ethylhexan-2-ol
SMILESCCC(CC)CC(C)(O)C1CCCCC1
InChIInChI=1S/C14H28O/c1-4-12(5-2)11-14(3,15)13-9-7-6-8-10-13/h12-13,15H,4-11H2,1-3H3
InChIKeyCXAXTNVJZAICFE-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.14
Rot. Bonds5

About 2-cyclohexyl-4-ethylhexan-2-ol

2-cyclohexyl-4-ethylhexan-2-ol (PubChem CID 114794849) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-cyclohexyl-4-ethylhexan-2-ol.

Molecular Properties

Compound Name2-cyclohexyl-4-ethylhexan-2-ol
PubChem CID114794849
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2-cyclohexyl-4-ethylhexan-2-ol
SMILESCCC(CC)CC(C)(O)C1CCCCC1
InChIInChI=1S/C14H28O/c1-4-12(5-2)11-14(3,15)13-9-7-6-8-10-13/h12-13,15H,4-11H2,1-3H3
InChIKeyCXAXTNVJZAICFE-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 57289443
2-cyclohexylbutan-2-ol
CID 14023764
4-ethyl-2-(4-methylcyclohex-3-en-1-yl)hexan-2-ol
CID 14610889
2-cyclohexylpentan-2-ol
CID 75245103
(2S)-1-amino-2-cyclohexylpropan-2-ol
CID 93298138
(2R)-1-amino-2-cyclopentylpropan-2-ol
CID 94524784
2-cyclohexyl-1-(propylamino)propan-2-ol
CID 62775287
2-cyclononadecylpropan-2-ol
CID 126587376
1-cyclooctylethane-1,1-diol
CID 22410754
2-cyclooctylpropan-2-ol
CID 27966
2,3-dicyclohexylbutane-2,3-diol
CID 50741678
2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid
CID 113360497

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-ethylhexan-2-ol?
The IUPAC name of 2-cyclohexyl-4-ethylhexan-2-ol (CID 114794849) is 2-cyclohexyl-4-ethylhexan-2-ol.
What is the SMILES notation for 2-cyclohexyl-4-ethylhexan-2-ol?
The canonical SMILES for 2-cyclohexyl-4-ethylhexan-2-ol is CCC(CC)CC(C)(O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-ethylhexan-2-ol?
The InChIKey is CXAXTNVJZAICFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-4-12(5-2)11-14(3,15)13-9-7-6-8-10-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 2-cyclohexyl-4-ethylhexan-2-ol?
2-cyclohexyl-4-ethylhexan-2-ol has a molecular weight of 212.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-ethylhexan-2-ol is sourced from PubChem (CID 114794849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).