3-ethenoxycarbonyloxypropyl ethenyl carbonate

C9H12O6 — CID 21183533

IUPAC3-ethenoxycarbonyloxypropyl ethenyl carbonate
SMILESC=COC(=O)OCCCOC(=O)OC=C
InChIInChI=1S/C9H12O6/c1-3-12-8(10)14-6-5-7-15-9(11)13-4-2/h3-4H,1-2,5-7H2
InChIKeyIEPQYEGETFTRFF-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.97
Rot. Bonds6

About 3-ethenoxycarbonyloxypropyl ethenyl carbonate

3-ethenoxycarbonyloxypropyl ethenyl carbonate (PubChem CID 21183533) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is 3-ethenoxycarbonyloxypropyl ethenyl carbonate.

Molecular Properties

Compound Name3-ethenoxycarbonyloxypropyl ethenyl carbonate
PubChem CID21183533
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name3-ethenoxycarbonyloxypropyl ethenyl carbonate
SMILESC=COC(=O)OCCCOC(=O)OC=C
InChIInChI=1S/C9H12O6/c1-3-12-8(10)14-6-5-7-15-9(11)13-4-2/h3-4H,1-2,5-7H2
InChIKeyIEPQYEGETFTRFF-UHFFFAOYSA-N
XLogP1.97
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenoxycarbonyloxypropyl ethenyl carbonate?
The IUPAC name of 3-ethenoxycarbonyloxypropyl ethenyl carbonate (CID 21183533) is 3-ethenoxycarbonyloxypropyl ethenyl carbonate.
What is the SMILES notation for 3-ethenoxycarbonyloxypropyl ethenyl carbonate?
The canonical SMILES for 3-ethenoxycarbonyloxypropyl ethenyl carbonate is C=COC(=O)OCCCOC(=O)OC=C.
What is the InChIKey of 3-ethenoxycarbonyloxypropyl ethenyl carbonate?
The InChIKey is IEPQYEGETFTRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O6/c1-3-12-8(10)14-6-5-7-15-9(11)13-4-2/h3-4H,1-2,5-7H2.
What are the key properties of 3-ethenoxycarbonyloxypropyl ethenyl carbonate?
3-ethenoxycarbonyloxypropyl ethenyl carbonate has a molecular weight of 216.19 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenoxycarbonyloxypropyl ethenyl carbonate is sourced from PubChem (CID 21183533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).