1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol

C15H28O2 — CID 113391295

IUPAC1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol
SMILESCC1CC(C)CC(C(O)CC2CCCCO2)C1
InChIInChI=1S/C15H28O2/c1-11-7-12(2)9-13(8-11)15(16)10-14-5-3-4-6-17-14/h11-16H,3-10H2,1-2H3
InChIKeyXINRAAAJEJWLDK-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.38
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol

1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol (PubChem CID 113391295) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol
PubChem CID113391295
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol
SMILESCC1CC(C)CC(C(O)CC2CCCCO2)C1
InChIInChI=1S/C15H28O2/c1-11-7-12(2)9-13(8-11)15(16)10-14-5-3-4-6-17-14/h11-16H,3-10H2,1-2H3
InChIKeyXINRAAAJEJWLDK-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol
CID 113391339
(2R)-2-(2-methylpropyl)oxane
CID 58653197
3-fluoro-4-(oxan-2-yl)butan-2-one
CID 105435805
3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64751038
2-(2,3-dimethylbutyl)oxane
CID 167069415
1,1,1-trifluoro-3-(oxan-2-yl)propan-2-ol
CID 131515753
1-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 68624351
1-cyclopropyl-2-(oxan-2-ylmethoxy)ethanol
CID 63907468
ethyl 2-(oxan-2-ylmethyl)-3-oxobutanoate
CID 15304158
methylcyclohexane;oxan-2-ylmethanol
CID 143263270
1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
CID 115802147
(2R)-2-amino-3-(oxan-2-yl)propanoic acid
CID 106702780

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol (CID 113391295) is 1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol is CC1CC(C)CC(C(O)CC2CCCCO2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol?
The InChIKey is XINRAAAJEJWLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-11-7-12(2)9-13(8-11)15(16)10-14-5-3-4-6-17-14/h11-16H,3-10H2,1-2H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol?
1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol has a molecular weight of 240.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol is sourced from PubChem (CID 113391295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).