1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate

C14H22O7 — CID 22564530

IUPAC1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC(C)OCC(C)OC(=O)OCC=C
InChIInChI=1S/C14H22O7/c1-5-7-17-13(15)20-9-11(3)19-10-12(4)21-14(16)18-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyDVCAUEUIWWDRMU-UHFFFAOYSA-N
MW302.32 g/mol
LogP2.46
Rot. Bonds10

About 1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate

1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate (PubChem CID 22564530) has the molecular formula C14H22O7 and a molecular weight of 302.32 g/mol. Its IUPAC name is 1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate.

Molecular Properties

Compound Name1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate
PubChem CID22564530
Molecular FormulaC14H22O7
Molecular Weight302.32 g/mol
Exact Mass302.14
IUPAC Name1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC(C)OCC(C)OC(=O)OCC=C
InChIInChI=1S/C14H22O7/c1-5-7-17-13(15)20-9-11(3)19-10-12(4)21-14(16)18-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3
InChIKeyDVCAUEUIWWDRMU-UHFFFAOYSA-N
XLogP2.46
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate?
The IUPAC name of 1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate (CID 22564530) is 1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate.
What is the SMILES notation for 1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate?
The canonical SMILES for 1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate is C=CCOC(=O)OCC(C)OCC(C)OC(=O)OCC=C.
What is the InChIKey of 1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate?
The InChIKey is DVCAUEUIWWDRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O7/c1-5-7-17-13(15)20-9-11(3)19-10-12(4)21-14(16)18-8-6-2/h5-6,11-12H,1-2,7-10H2,3-4H3.
What are the key properties of 1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate?
1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate has a molecular weight of 302.32 g/mol, XLogP of 2.46, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enoxycarbonyloxypropan-2-yloxy)propan-2-yl prop-2-enyl carbonate is sourced from PubChem (CID 22564530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).