5-ethoxypentane-1,3-diol

C7H16O3 — CID 87719157

IUPAC5-ethoxypentane-1,3-diol
SMILESCCOCCC(O)CCO
InChIInChI=1S/C7H16O3/c1-2-10-6-4-7(9)3-5-8/h7-9H,2-6H2,1H3
InChIKeyPELKBQRAQJNMSV-UHFFFAOYSA-N
MW148.20 g/mol
LogP0.16
Rot. Bonds6

About 5-ethoxypentane-1,3-diol

5-ethoxypentane-1,3-diol (PubChem CID 87719157) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is 5-ethoxypentane-1,3-diol.

Molecular Properties

Compound Name5-ethoxypentane-1,3-diol
PubChem CID87719157
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name5-ethoxypentane-1,3-diol
SMILESCCOCCC(O)CCO
InChIInChI=1S/C7H16O3/c1-2-10-6-4-7(9)3-5-8/h7-9H,2-6H2,1H3
InChIKeyPELKBQRAQJNMSV-UHFFFAOYSA-N
XLogP0.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethoxypentane-1,3-diol 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 5-ethoxypentane-1,3-diol?
The IUPAC name of 5-ethoxypentane-1,3-diol (CID 87719157) is 5-ethoxypentane-1,3-diol.
What is the SMILES notation for 5-ethoxypentane-1,3-diol?
The canonical SMILES for 5-ethoxypentane-1,3-diol is CCOCCC(O)CCO.
What is the InChIKey of 5-ethoxypentane-1,3-diol?
The InChIKey is PELKBQRAQJNMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3/c1-2-10-6-4-7(9)3-5-8/h7-9H,2-6H2,1H3.
What are the key properties of 5-ethoxypentane-1,3-diol?
5-ethoxypentane-1,3-diol has a molecular weight of 148.20 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxypentane-1,3-diol is sourced from PubChem (CID 87719157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).