2-(1-ethoxyethoxy)prop-1-ene

C7H14O2 — CID 13199094

IUPAC2-(1-ethoxyethoxy)prop-1-ene
SMILESC=C(C)OC(C)OCC
InChIInChI=1S/C7H14O2/c1-5-8-7(4)9-6(2)3/h7H,2,5H2,1,3-4H3
InChIKeyKTUZZPSBDSYLSS-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.92
Rot. Bonds4

About 2-(1-ethoxyethoxy)prop-1-ene

2-(1-ethoxyethoxy)prop-1-ene (PubChem CID 13199094) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(1-ethoxyethoxy)prop-1-ene.

Molecular Properties

Compound Name2-(1-ethoxyethoxy)prop-1-ene
PubChem CID13199094
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(1-ethoxyethoxy)prop-1-ene
SMILESC=C(C)OC(C)OCC
InChIInChI=1S/C7H14O2/c1-5-8-7(4)9-6(2)3/h7H,2,5H2,1,3-4H3
InChIKeyKTUZZPSBDSYLSS-UHFFFAOYSA-N
XLogP1.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-ethoxyethoxy)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 2-(1-ethoxyethoxy)prop-1-ene?
The IUPAC name of 2-(1-ethoxyethoxy)prop-1-ene (CID 13199094) is 2-(1-ethoxyethoxy)prop-1-ene.
What is the SMILES notation for 2-(1-ethoxyethoxy)prop-1-ene?
The canonical SMILES for 2-(1-ethoxyethoxy)prop-1-ene is C=C(C)OC(C)OCC.
What is the InChIKey of 2-(1-ethoxyethoxy)prop-1-ene?
The InChIKey is KTUZZPSBDSYLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-5-8-7(4)9-6(2)3/h7H,2,5H2,1,3-4H3.
What are the key properties of 2-(1-ethoxyethoxy)prop-1-ene?
2-(1-ethoxyethoxy)prop-1-ene has a molecular weight of 130.19 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethoxy)prop-1-ene is sourced from PubChem (CID 13199094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).