1-ethoxy-1-methoxybutan-1-ol

C7H16O3 — CID 87839208

IUPAC1-ethoxy-1-methoxybutan-1-ol
SMILESCCCC(O)(OC)OCC
InChIInChI=1S/C7H16O3/c1-4-6-7(8,9-3)10-5-2/h8H,4-6H2,1-3H3
InChIKeyVMDHJUFWJBPLEE-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.12
Rot. Bonds5

About 1-ethoxy-1-methoxybutan-1-ol

1-ethoxy-1-methoxybutan-1-ol (PubChem CID 87839208) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-ethoxy-1-methoxybutan-1-ol.

Molecular Properties

Compound Name1-ethoxy-1-methoxybutan-1-ol
PubChem CID87839208
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1-ethoxy-1-methoxybutan-1-ol
SMILESCCCC(O)(OC)OCC
InChIInChI=1S/C7H16O3/c1-4-6-7(8,9-3)10-5-2/h8H,4-6H2,1-3H3
InChIKeyVMDHJUFWJBPLEE-UHFFFAOYSA-N
XLogP1.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-ethoxy-1-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-ethoxy-1-methoxybutan-1-ol?
The IUPAC name of 1-ethoxy-1-methoxybutan-1-ol (CID 87839208) is 1-ethoxy-1-methoxybutan-1-ol.
What is the SMILES notation for 1-ethoxy-1-methoxybutan-1-ol?
The canonical SMILES for 1-ethoxy-1-methoxybutan-1-ol is CCCC(O)(OC)OCC.
What is the InChIKey of 1-ethoxy-1-methoxybutan-1-ol?
The InChIKey is VMDHJUFWJBPLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-4-6-7(8,9-3)10-5-2/h8H,4-6H2,1-3H3.
What are the key properties of 1-ethoxy-1-methoxybutan-1-ol?
1-ethoxy-1-methoxybutan-1-ol has a molecular weight of 148.20 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-methoxybutan-1-ol is sourced from PubChem (CID 87839208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).