1-cyclohexyl-1-(oxan-4-yl)ethanol

C13H24O2 — CID 114794901

IUPAC1-cyclohexyl-1-(oxan-4-yl)ethanol
SMILESCC(O)(C1CCCCC1)C1CCOCC1
InChIInChI=1S/C13H24O2/c1-13(14,11-5-3-2-4-6-11)12-7-9-15-10-8-12/h11-12,14H,2-10H2,1H3
InChIKeyYOYYIGYOFXJBAD-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.74
Rot. Bonds2

About 1-cyclohexyl-1-(oxan-4-yl)ethanol

1-cyclohexyl-1-(oxan-4-yl)ethanol (PubChem CID 114794901) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-cyclohexyl-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-cyclohexyl-1-(oxan-4-yl)ethanol
PubChem CID114794901
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-cyclohexyl-1-(oxan-4-yl)ethanol
SMILESCC(O)(C1CCCCC1)C1CCOCC1
InChIInChI=1S/C13H24O2/c1-13(14,11-5-3-2-4-6-11)12-7-9-15-10-8-12/h11-12,14H,2-10H2,1H3
InChIKeyYOYYIGYOFXJBAD-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 50741678
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2-cyclooctylpropan-2-ol
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1-cycloheptyl-1-piperidin-3-ylethanol
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2-(oxepan-4-yl)propan-2-amine
CID 84650641
tert-butylcyclohexane;4-tert-butyloxane;4,4-dimethylpentanenitrile;methane
CID 157213296
(2R)-2-hydroxy-2-(oxan-4-yl)propanoic acid
CID 124510328
(1R)-1-cyclohexyl-1-[(2R)-morpholin-2-yl]ethanol
CID 124746764
2-cyclohexylpropan-2-ol;methanamine
CID 155735582
2,4-dimethyl-3-(oxan-4-yl)pentan-3-ol
CID 126978853
3-methyl-3-(oxan-4-yl)butan-2-one
CID 58834303

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-(oxan-4-yl)ethanol?
The IUPAC name of 1-cyclohexyl-1-(oxan-4-yl)ethanol (CID 114794901) is 1-cyclohexyl-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-cyclohexyl-1-(oxan-4-yl)ethanol?
The canonical SMILES for 1-cyclohexyl-1-(oxan-4-yl)ethanol is CC(O)(C1CCCCC1)C1CCOCC1.
What is the InChIKey of 1-cyclohexyl-1-(oxan-4-yl)ethanol?
The InChIKey is YOYYIGYOFXJBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-13(14,11-5-3-2-4-6-11)12-7-9-15-10-8-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-1-(oxan-4-yl)ethanol?
1-cyclohexyl-1-(oxan-4-yl)ethanol has a molecular weight of 212.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 114794901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).