1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol

C14H28O2 — CID 116755351

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
SMILESCCOC1(C(O)C(C)(C)C)CCCC(C)C1
InChIInChI=1S/C14H28O2/c1-6-16-14(12(15)13(3,4)5)9-7-8-11(2)10-14/h11-12,15H,6-10H2,1-5H3
InChIKeyPFGMXJYAAAREQO-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.38
Rot. Bonds3

About 1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol

1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol (PubChem CID 116755351) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
PubChem CID116755351
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
SMILESCCOC1(C(O)C(C)(C)C)CCCC(C)C1
InChIInChI=1S/C14H28O2/c1-6-16-14(12(15)13(3,4)5)9-7-8-11(2)10-14/h11-12,15H,6-10H2,1-5H3
InChIKeyPFGMXJYAAAREQO-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

Analyze 1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116754852
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
2-cyclohexyl-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755222
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
1-(1-ethoxy-3-methylcyclohexyl)-N,4,4-trimethylpentan-1-amine
CID 116768244
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol (CID 116755351) is 1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol is CCOC1(C(O)C(C)(C)C)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol?
The InChIKey is PFGMXJYAAAREQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-6-16-14(12(15)13(3,4)5)9-7-8-11(2)10-14/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol?
1-(1-ethoxy-3-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-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 116755351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).