1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol

C15H30O3 — CID 114855143

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol
SMILESCCOC1(C(O)CCCOC)CCC(C)(C)CC1
InChIInChI=1S/C15H30O3/c1-5-18-15(13(16)7-6-12-17-4)10-8-14(2,3)9-11-15/h13,16H,5-12H2,1-4H3
InChIKeyZPMGSYJIVGOIIH-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.15
Rot. Bonds7

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol

1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol (PubChem CID 114855143) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol
PubChem CID114855143
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol
SMILESCCOC1(C(O)CCCOC)CCC(C)(C)CC1
InChIInChI=1S/C15H30O3/c1-5-18-15(13(16)7-6-12-17-4)10-8-14(2,3)9-11-15/h13,16H,5-12H2,1-4H3
InChIKeyZPMGSYJIVGOIIH-UHFFFAOYSA-N
XLogP3.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-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

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol (CID 114855143) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol is CCOC1(C(O)CCCOC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol?
The InChIKey is ZPMGSYJIVGOIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-5-18-15(13(16)7-6-12-17-4)10-8-14(2,3)9-11-15/h13,16H,5-12H2,1-4H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol has a molecular weight of 258.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol is sourced from PubChem (CID 114855143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).