1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol

C14H28O2 — CID 116754852

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol
SMILESCCOC1(C(O)C(C)(C)C)CCC(C)CC1
InChIInChI=1S/C14H28O2/c1-6-16-14(12(15)13(3,4)5)9-7-11(2)8-10-14/h11-12,15H,6-10H2,1-5H3
InChIKeyVADSIIDSDXTUHQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds3

About 1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol

1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol (PubChem CID 116754852) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol
PubChem CID116754852
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol
SMILESCCOC1(C(O)C(C)(C)C)CCC(C)CC1
InChIInChI=1S/C14H28O2/c1-6-16-14(12(15)13(3,4)5)9-7-11(2)8-10-14/h11-12,15H,6-10H2,1-5H3
InChIKeyVADSIIDSDXTUHQ-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol
CID 116754811
[1-(1-ethoxy-4-methylcyclohexyl)-2-methylprop-2-enyl]hydrazine
CID 105277383
(1-ethoxy-4-methylcyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622761
1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol
CID 116754863
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116766990
1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
CID 116754684
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116767361
1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
CID 116767228
(1-ethoxy-4-methylcyclohexyl)-(2-phenylcyclopropyl)methanol
CID 116754651
2-ethoxy-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767121

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol (CID 116754852) is 1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol is CCOC1(C(O)C(C)(C)C)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol?
The InChIKey is VADSIIDSDXTUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-16-14(12(15)13(3,4)5)9-7-11(2)8-10-14/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol?
1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol has a molecular weight of 228.38 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-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 116754852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).