[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate

C13H14O3 — CID 13272699

IUPAC[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C13H14O3/c1-2-10-15-13(14)16-11-6-9-12-7-4-3-5-8-12/h2-9H,1,10-11H2/b9-6+
InChIKeyWNQKFKMRKTYAIZ-RMKNXTFCSA-N
MW218.25 g/mol
LogP3.04
Rot. Bonds5

About [(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate

[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate (PubChem CID 13272699) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
PubChem CID13272699
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C13H14O3/c1-2-10-15-13(14)16-11-6-9-12-7-4-3-5-8-12/h2-9H,1,10-11H2/b9-6+
InChIKeyWNQKFKMRKTYAIZ-RMKNXTFCSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
benzene-1,2-diol;bis(prop-2-enyl) carbonate
CID 23056283
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
3-phenylprop-2-enyl undec-10-enoate
CID 5058041
[(E)-3-phenylprop-2-enyl] 2-cyano-2-prop-2-enylpent-4-enoate
CID 102172798
3-phenylprop-2-enyl 2,2,2-trichloroacetate
CID 73178101
3-phenylprop-2-enyl 2-(chloromethyl)prop-2-enoate
CID 57238060
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
CID 20693228
3-phenylprop-2-enyl butanoate;[(E)-3-phenylprop-2-enyl] butanoate
CID 89428693
bis(3-phenylprop-2-enyl) 2-hydroxybutanedioate
CID 86005171

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate (CID 13272699) is [(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate is C=CCOC(=O)OC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate?
The InChIKey is WNQKFKMRKTYAIZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H14O3/c1-2-10-15-13(14)16-11-6-9-12-7-4-3-5-8-12/h2-9H,1,10-11H2/b9-6+.
What are the key properties of [(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate?
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate has a molecular weight of 218.25 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate is sourced from PubChem (CID 13272699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).