1-(2-prop-2-enoxyethoxy)ethanol

C7H14O3 — CID 19419401

IUPAC1-(2-prop-2-enoxyethoxy)ethanol
SMILESC=CCOCCOC(C)O
InChIInChI=1S/C7H14O3/c1-3-4-9-5-6-10-7(2)8/h3,7-8H,1,4-6H2,2H3
InChIKeyKZBVEKLTKRMEHV-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.54
Rot. Bonds6

About 1-(2-prop-2-enoxyethoxy)ethanol

1-(2-prop-2-enoxyethoxy)ethanol (PubChem CID 19419401) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(2-prop-2-enoxyethoxy)ethanol.

Molecular Properties

Compound Name1-(2-prop-2-enoxyethoxy)ethanol
PubChem CID19419401
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1-(2-prop-2-enoxyethoxy)ethanol
SMILESC=CCOCCOC(C)O
InChIInChI=1S/C7H14O3/c1-3-4-9-5-6-10-7(2)8/h3,7-8H,1,4-6H2,2H3
InChIKeyKZBVEKLTKRMEHV-UHFFFAOYSA-N
XLogP0.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-prop-2-enoxyethoxy)ethanol 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 1-(2-prop-2-enoxyethoxy)ethanol?
The IUPAC name of 1-(2-prop-2-enoxyethoxy)ethanol (CID 19419401) is 1-(2-prop-2-enoxyethoxy)ethanol.
What is the SMILES notation for 1-(2-prop-2-enoxyethoxy)ethanol?
The canonical SMILES for 1-(2-prop-2-enoxyethoxy)ethanol is C=CCOCCOC(C)O.
What is the InChIKey of 1-(2-prop-2-enoxyethoxy)ethanol?
The InChIKey is KZBVEKLTKRMEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-4-9-5-6-10-7(2)8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 1-(2-prop-2-enoxyethoxy)ethanol?
1-(2-prop-2-enoxyethoxy)ethanol has a molecular weight of 146.19 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoxyethoxy)ethanol is sourced from PubChem (CID 19419401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).