3-ethoxy-1-propan-2-yloxybutan-2-ol

C9H20O3 — CID 79567454

IUPAC3-ethoxy-1-propan-2-yloxybutan-2-ol
SMILESCCOC(C)C(O)COC(C)C
InChIInChI=1S/C9H20O3/c1-5-11-8(4)9(10)6-12-7(2)3/h7-10H,5-6H2,1-4H3
InChIKeyGGBBDTPXAVDXJV-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.20
Rot. Bonds6

About 3-ethoxy-1-propan-2-yloxybutan-2-ol

3-ethoxy-1-propan-2-yloxybutan-2-ol (PubChem CID 79567454) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-ethoxy-1-propan-2-yloxybutan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1-propan-2-yloxybutan-2-ol
PubChem CID79567454
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name3-ethoxy-1-propan-2-yloxybutan-2-ol
SMILESCCOC(C)C(O)COC(C)C
InChIInChI=1S/C9H20O3/c1-5-11-8(4)9(10)6-12-7(2)3/h7-10H,5-6H2,1-4H3
InChIKeyGGBBDTPXAVDXJV-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-1-propan-2-yloxybutan-2-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 3-ethoxy-1-propan-2-yloxybutan-2-ol?
The IUPAC name of 3-ethoxy-1-propan-2-yloxybutan-2-ol (CID 79567454) is 3-ethoxy-1-propan-2-yloxybutan-2-ol.
What is the SMILES notation for 3-ethoxy-1-propan-2-yloxybutan-2-ol?
The canonical SMILES for 3-ethoxy-1-propan-2-yloxybutan-2-ol is CCOC(C)C(O)COC(C)C.
What is the InChIKey of 3-ethoxy-1-propan-2-yloxybutan-2-ol?
The InChIKey is GGBBDTPXAVDXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-5-11-8(4)9(10)6-12-7(2)3/h7-10H,5-6H2,1-4H3.
What are the key properties of 3-ethoxy-1-propan-2-yloxybutan-2-ol?
3-ethoxy-1-propan-2-yloxybutan-2-ol has a molecular weight of 176.26 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-propan-2-yloxybutan-2-ol is sourced from PubChem (CID 79567454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).