ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane

C8H16O4 — CID 6451776

IUPACethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1CO1.OCCO
InChIInChI=1S/C6H10O2.C2H6O2/c1-2-3-7-4-6-5-8-6;3-1-2-4/h2,6H,1,3-5H2;3-4H,1-2H2
InChIKeyOVCWQALLJGXNFF-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.44
Rot. Bonds5

About ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane

ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane (PubChem CID 6451776) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane.

Molecular Properties

Compound Nameethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane
PubChem CID6451776
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Nameethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1CO1.OCCO
InChIInChI=1S/C6H10O2.C2H6O2/c1-2-3-7-4-6-5-8-6;3-1-2-4/h2,6H,1,3-5H2;3-4H,1-2H2
InChIKeyOVCWQALLJGXNFF-UHFFFAOYSA-N
XLogP-0.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane 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 ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane?
The IUPAC name of ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane (CID 6451776) is ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane.
What is the SMILES notation for ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane?
The canonical SMILES for ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane is C=CCOCC1CO1.OCCO.
What is the InChIKey of ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane?
The InChIKey is OVCWQALLJGXNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C2H6O2/c1-2-3-7-4-6-5-8-6;3-1-2-4/h2,6H,1,3-5H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane?
ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane has a molecular weight of 176.21 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-(prop-2-enoxymethyl)oxirane is sourced from PubChem (CID 6451776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).