2-(1-methoxyprop-2-enoxy)ethanol

C6H12O3 — CID 90712018

IUPAC2-(1-methoxyprop-2-enoxy)ethanol
SMILESC=CC(OC)OCCO
InChIInChI=1S/C6H12O3/c1-3-6(8-2)9-5-4-7/h3,6-7H,1,4-5H2,2H3
InChIKeyKXXADADPCOZHJQ-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.15
Rot. Bonds5

About 2-(1-methoxyprop-2-enoxy)ethanol

2-(1-methoxyprop-2-enoxy)ethanol (PubChem CID 90712018) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(1-methoxyprop-2-enoxy)ethanol.

Molecular Properties

Compound Name2-(1-methoxyprop-2-enoxy)ethanol
PubChem CID90712018
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-(1-methoxyprop-2-enoxy)ethanol
SMILESC=CC(OC)OCCO
InChIInChI=1S/C6H12O3/c1-3-6(8-2)9-5-4-7/h3,6-7H,1,4-5H2,2H3
InChIKeyKXXADADPCOZHJQ-UHFFFAOYSA-N
XLogP0.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-methoxyprop-2-enoxy)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 2-(1-methoxyprop-2-enoxy)ethanol?
The IUPAC name of 2-(1-methoxyprop-2-enoxy)ethanol (CID 90712018) is 2-(1-methoxyprop-2-enoxy)ethanol.
What is the SMILES notation for 2-(1-methoxyprop-2-enoxy)ethanol?
The canonical SMILES for 2-(1-methoxyprop-2-enoxy)ethanol is C=CC(OC)OCCO.
What is the InChIKey of 2-(1-methoxyprop-2-enoxy)ethanol?
The InChIKey is KXXADADPCOZHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-6(8-2)9-5-4-7/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 2-(1-methoxyprop-2-enoxy)ethanol?
2-(1-methoxyprop-2-enoxy)ethanol has a molecular weight of 132.16 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyprop-2-enoxy)ethanol is sourced from PubChem (CID 90712018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).