[4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate

C15H16O6 — CID 66614557

IUPAC[4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OCc1ccc(OC(=O)OCC=C)cc1
InChIInChI=1S/C15H16O6/c1-3-9-18-14(16)20-11-12-5-7-13(8-6-12)21-15(17)19-10-4-2/h3-8H,1-2,9-11H2
InChIKeyIFWDHBOAEXFIBM-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.23
Rot. Bonds7

About [4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate

[4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate (PubChem CID 66614557) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is [4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate
PubChem CID66614557
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name[4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OCc1ccc(OC(=O)OCC=C)cc1
InChIInChI=1S/C15H16O6/c1-3-9-18-14(16)20-11-12-5-7-13(8-6-12)21-15(17)19-10-4-2/h3-8H,1-2,9-11H2
InChIKeyIFWDHBOAEXFIBM-UHFFFAOYSA-N
XLogP3.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl prop-2-enyl carbonate;bis(prop-2-enyl hydrogen carbonate)
CID 174794359
(4-nitrophenyl)methyl prop-2-enyl carbonate
CID 66609999
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
benzyl (4-formylphenyl) carbonate
CID 11334337
benzyl (4-methylphenyl) carbonate
CID 118690287
(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate
CID 122625881
(4-aminosulfanylphenyl)methyl [4-(nitrooxymethyl)phenyl] carbonate
CID 143690865
(3,5-difluorophenyl) prop-2-enyl carbonate
CID 91691289
benzene-1,2-diol;bis(prop-2-enyl) carbonate
CID 23056283
bis(prop-2-enyl) carbonate;ethene
CID 87465968
2-(prop-2-enoxycarbonylamino)-2-(4-prop-2-enoxycarbonyloxyphenyl)acetic acid
CID 15505909
benzenethiol;phenyl prop-2-enyl carbonate;prop-2-enyl carbonochloridate
CID 158100831

Frequently Asked Questions

What is the IUPAC name of [4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate?
The IUPAC name of [4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate (CID 66614557) is [4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate.
What is the SMILES notation for [4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate?
The canonical SMILES for [4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate is C=CCOC(=O)OCc1ccc(OC(=O)OCC=C)cc1.
What is the InChIKey of [4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate?
The InChIKey is IFWDHBOAEXFIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-3-9-18-14(16)20-11-12-5-7-13(8-6-12)21-15(17)19-10-4-2/h3-8H,1-2,9-11H2.
What are the key properties of [4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate?
[4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate has a molecular weight of 292.29 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(prop-2-enoxycarbonyloxymethyl)phenyl] prop-2-enyl carbonate is sourced from PubChem (CID 66614557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).