1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate

C11H16O6 — CID 18458469

IUPAC1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC(C)OC(=O)OCC=C
InChIInChI=1S/C11H16O6/c1-4-6-14-10(12)16-8-9(3)17-11(13)15-7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyATZJFWWCVDMNKT-UHFFFAOYSA-N
MW244.24 g/mol
LogP2.05
Rot. Bonds7

About 1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate

1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate (PubChem CID 18458469) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is 1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate.

Molecular Properties

Compound Name1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate
PubChem CID18458469
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC(C)OC(=O)OCC=C
InChIInChI=1S/C11H16O6/c1-4-6-14-10(12)16-8-9(3)17-11(13)15-7-5-2/h4-5,9H,1-2,6-8H2,3H3
InChIKeyATZJFWWCVDMNKT-UHFFFAOYSA-N
XLogP2.05
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate?
The IUPAC name of 1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate (CID 18458469) is 1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate.
What is the SMILES notation for 1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate?
The canonical SMILES for 1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate is C=CCOC(=O)OCC(C)OC(=O)OCC=C.
What is the InChIKey of 1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate?
The InChIKey is ATZJFWWCVDMNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-4-6-14-10(12)16-8-9(3)17-11(13)15-7-5-2/h4-5,9H,1-2,6-8H2,3H3.
What are the key properties of 1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate?
1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate has a molecular weight of 244.24 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxycarbonyloxypropan-2-yl prop-2-enyl carbonate is sourced from PubChem (CID 18458469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).