1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol

C15H28O2 — CID 113391339

IUPAC1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol
SMILESCCC1CCCC(C(O)CC2CCCCO2)C1
InChIInChI=1S/C15H28O2/c1-2-12-6-5-7-13(10-12)15(16)11-14-8-3-4-9-17-14/h12-16H,2-11H2,1H3
InChIKeyCBKWYNGFNPSCEK-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.52
Rot. Bonds4

About 1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol

1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol (PubChem CID 113391339) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol
PubChem CID113391339
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol
SMILESCCC1CCCC(C(O)CC2CCCCO2)C1
InChIInChI=1S/C15H28O2/c1-2-12-6-5-7-13(10-12)15(16)11-14-8-3-4-9-17-14/h12-16H,2-11H2,1H3
InChIKeyCBKWYNGFNPSCEK-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
1-(3,5-dimethylcyclohexyl)-2-(oxan-2-yl)ethanol
CID 113391295
1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105104403
1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol
CID 79177597
1-(3-ethylcyclohexyl)decan-1-ol
CID 65401129
1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112699179
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
CID 115789825
(3-ethylcyclohexyl)-(oxolan-2-yl)methanamine
CID 65331148
2-(2,3-dimethylbutyl)oxane
CID 167069415
(2R)-2-(2-methylpropyl)oxane
CID 58653197
(2R)-2-[(Z)-pent-2-enyl]oxane
CID 154446695
cyclopentyl-(3-ethylcyclopentyl)methanol
CID 65410347

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol?
The IUPAC name of 1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol (CID 113391339) is 1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol?
The canonical SMILES for 1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol is CCC1CCCC(C(O)CC2CCCCO2)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol?
The InChIKey is CBKWYNGFNPSCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-2-12-6-5-7-13(10-12)15(16)11-14-8-3-4-9-17-14/h12-16H,2-11H2,1H3.
What are the key properties of 1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol?
1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol has a molecular weight of 240.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-2-(oxan-2-yl)ethanol is sourced from PubChem (CID 113391339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).