3-(1-ethoxyethoxy)prop-1-ene

C7H14O2 — CID 12739596

IUPAC3-(1-ethoxyethoxy)prop-1-ene
SMILESC=CCOC(C)OCC
InChIInChI=1S/C7H14O2/c1-4-6-9-7(3)8-5-2/h4,7H,1,5-6H2,2-3H3
InChIKeyLHSZEAXEOKSUHY-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.57
Rot. Bonds5

About 3-(1-ethoxyethoxy)prop-1-ene

3-(1-ethoxyethoxy)prop-1-ene (PubChem CID 12739596) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-(1-ethoxyethoxy)prop-1-ene.

Molecular Properties

Compound Name3-(1-ethoxyethoxy)prop-1-ene
PubChem CID12739596
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name3-(1-ethoxyethoxy)prop-1-ene
SMILESC=CCOC(C)OCC
InChIInChI=1S/C7H14O2/c1-4-6-9-7(3)8-5-2/h4,7H,1,5-6H2,2-3H3
InChIKeyLHSZEAXEOKSUHY-UHFFFAOYSA-N
XLogP1.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethoxy)prop-1-ene?
The IUPAC name of 3-(1-ethoxyethoxy)prop-1-ene (CID 12739596) is 3-(1-ethoxyethoxy)prop-1-ene.
What is the SMILES notation for 3-(1-ethoxyethoxy)prop-1-ene?
The canonical SMILES for 3-(1-ethoxyethoxy)prop-1-ene is C=CCOC(C)OCC.
What is the InChIKey of 3-(1-ethoxyethoxy)prop-1-ene?
The InChIKey is LHSZEAXEOKSUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-6-9-7(3)8-5-2/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 3-(1-ethoxyethoxy)prop-1-ene?
3-(1-ethoxyethoxy)prop-1-ene has a molecular weight of 130.19 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethoxy)prop-1-ene is sourced from PubChem (CID 12739596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).