2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol

C12H24O3 — CID 116754612

IUPAC2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCCOCC(O)C1(OC)CCC(C)CC1
InChIInChI=1S/C12H24O3/c1-4-15-9-11(13)12(14-3)7-5-10(2)6-8-12/h10-11,13H,4-9H2,1-3H3
InChIKeyCGHLFLDAEPUQDL-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.98
Rot. Bonds5

About 2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol

2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol (PubChem CID 116754612) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol
PubChem CID116754612
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol
SMILESCCOCC(O)C1(OC)CCC(C)CC1
InChIInChI=1S/C12H24O3/c1-4-15-9-11(13)12(14-3)7-5-10(2)6-8-12/h10-11,13H,4-9H2,1-3H3
InChIKeyCGHLFLDAEPUQDL-UHFFFAOYSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-(4-methoxyoxan-4-yl)ethanol
CID 116754069
1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
CID 116754485
1-(1-methoxy-4-methylcyclohexyl)but-3-en-1-ol
CID 116754516
2-cyclobutyl-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 116754535
1-(1-methoxy-4-methylcyclohexyl)-4,4-dimethylpentan-1-ol
CID 116754445
1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol
CID 116754607
2-methoxy-1-(1-methoxycyclopentyl)ethanol
CID 104610524
2-ethoxy-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767121
2-(2,6-difluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 114931718
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766647
1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116754852
(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 104932362

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The IUPAC name of 2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol (CID 116754612) is 2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol is CCOCC(O)C1(OC)CCC(C)CC1.
What is the InChIKey of 2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol?
The InChIKey is CGHLFLDAEPUQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-4-15-9-11(13)12(14-3)7-5-10(2)6-8-12/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol?
2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol has a molecular weight of 216.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-methoxy-4-methylcyclohexyl)ethanol is sourced from PubChem (CID 116754612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).