3-ethoxy-2-(ethoxymethyl)prop-1-ene

C8H16O2 — CID 546191

IUPAC3-ethoxy-2-(ethoxymethyl)prop-1-ene
SMILESC=C(COCC)COCC
InChIInChI=1S/C8H16O2/c1-4-9-6-8(3)7-10-5-2/h3-7H2,1-2H3
InChIKeyFFHDFBALZJMPST-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.62
Rot. Bonds6

About 3-ethoxy-2-(ethoxymethyl)prop-1-ene

3-ethoxy-2-(ethoxymethyl)prop-1-ene (PubChem CID 546191) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-ethoxy-2-(ethoxymethyl)prop-1-ene.

Molecular Properties

Compound Name3-ethoxy-2-(ethoxymethyl)prop-1-ene
PubChem CID546191
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-ethoxy-2-(ethoxymethyl)prop-1-ene
SMILESC=C(COCC)COCC
InChIInChI=1S/C8H16O2/c1-4-9-6-8(3)7-10-5-2/h3-7H2,1-2H3
InChIKeyFFHDFBALZJMPST-UHFFFAOYSA-N
XLogP1.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethoxy-2-(ethoxymethyl)prop-1-ene 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-2-(ethoxymethyl)prop-1-ene?
The IUPAC name of 3-ethoxy-2-(ethoxymethyl)prop-1-ene (CID 546191) is 3-ethoxy-2-(ethoxymethyl)prop-1-ene.
What is the SMILES notation for 3-ethoxy-2-(ethoxymethyl)prop-1-ene?
The canonical SMILES for 3-ethoxy-2-(ethoxymethyl)prop-1-ene is C=C(COCC)COCC.
What is the InChIKey of 3-ethoxy-2-(ethoxymethyl)prop-1-ene?
The InChIKey is FFHDFBALZJMPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-9-6-8(3)7-10-5-2/h3-7H2,1-2H3.
What are the key properties of 3-ethoxy-2-(ethoxymethyl)prop-1-ene?
3-ethoxy-2-(ethoxymethyl)prop-1-ene has a molecular weight of 144.21 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(ethoxymethyl)prop-1-ene is sourced from PubChem (CID 546191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).