2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate

C10H16O6 — CID 10922384

IUPAC2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate
SMILESC=C(COC(=O)OCC)COC(=O)OCC
InChIInChI=1S/C10H16O6/c1-4-13-9(11)15-6-8(3)7-16-10(12)14-5-2/h3-7H2,1-2H3
InChIKeyPOTMUBFFCGEREG-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.89
Rot. Bonds6

About 2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate

2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate (PubChem CID 10922384) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate.

Molecular Properties

Compound Name2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate
PubChem CID10922384
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate
SMILESC=C(COC(=O)OCC)COC(=O)OCC
InChIInChI=1S/C10H16O6/c1-4-13-9(11)15-6-8(3)7-16-10(12)14-5-2/h3-7H2,1-2H3
InChIKeyPOTMUBFFCGEREG-UHFFFAOYSA-N
XLogP1.89
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(cyanomethyl)prop-2-enyl ethyl carbonate
CID 13350798
CID 175796855
CID 175796855
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
(2-chloro-2-oxoethyl) ethyl carbonate
CID 90058161
diethyl carbonate;ethane-1,2-diol
CID 19764063
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
ethoxycarbonyloxymethoxymethyl ethyl carbonate
CID 142756637
2-(4-chlorophenyl)prop-2-enyl ethyl carbonate
CID 102130678
[(E)-4-ethoxycarbonyloxy-2-methylbut-2-enyl] ethyl carbonate
CID 101011566
carbonic acid;diethyl carbonate;ethyl acetate
CID 174801545

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate?
The IUPAC name of 2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate (CID 10922384) is 2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate.
What is the SMILES notation for 2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate?
The canonical SMILES for 2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate is C=C(COC(=O)OCC)COC(=O)OCC.
What is the InChIKey of 2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate?
The InChIKey is POTMUBFFCGEREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-4-13-9(11)15-6-8(3)7-16-10(12)14-5-2/h3-7H2,1-2H3.
What are the key properties of 2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate?
2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate has a molecular weight of 232.23 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate is sourced from PubChem (CID 10922384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).