ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol

C9H14O7 — CID 87663299

IUPACethenoxycarbonyl ethenyl carbonate;propane-1,3-diol
SMILESC=COC(=O)OC(=O)OC=C.OCCCO
InChIInChI=1S/C6H6O5.C3H8O2/c1-3-9-5(7)11-6(8)10-4-2;4-2-1-3-5/h3-4H,1-2H2;4-5H,1-3H2
InChIKeyPIRXMEWETHBDKJ-UHFFFAOYSA-N
MW234.20 g/mol
LogP0.92
Rot. Bonds4

About ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol

ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol (PubChem CID 87663299) has the molecular formula C9H14O7 and a molecular weight of 234.20 g/mol. Its IUPAC name is ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol.

Molecular Properties

Compound Nameethenoxycarbonyl ethenyl carbonate;propane-1,3-diol
PubChem CID87663299
Molecular FormulaC9H14O7
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Nameethenoxycarbonyl ethenyl carbonate;propane-1,3-diol
SMILESC=COC(=O)OC(=O)OC=C.OCCCO
InChIInChI=1S/C6H6O5.C3H8O2/c1-3-9-5(7)11-6(8)10-4-2;4-2-1-3-5/h3-4H,1-2H2;4-5H,1-3H2
InChIKeyPIRXMEWETHBDKJ-UHFFFAOYSA-N
XLogP0.92
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol 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 ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol?
The IUPAC name of ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol (CID 87663299) is ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol.
What is the SMILES notation for ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol?
The canonical SMILES for ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol is C=COC(=O)OC(=O)OC=C.OCCCO.
What is the InChIKey of ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol?
The InChIKey is PIRXMEWETHBDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5.C3H8O2/c1-3-9-5(7)11-6(8)10-4-2;4-2-1-3-5/h3-4H,1-2H2;4-5H,1-3H2.
What are the key properties of ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol?
ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol has a molecular weight of 234.20 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxycarbonyl ethenyl carbonate;propane-1,3-diol is sourced from PubChem (CID 87663299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).