[(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate

C15H18O4 — CID 139093323

IUPAC[(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate
SMILESCOC(=O)O/C(=C\C(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C15H18O4/c1-15(2,3)10-12(19-14(17)18-4)13(16)11-8-6-5-7-9-11/h5-10H,1-4H3/b12-10-
InChIKeyLBLUJIBRYFNJPR-BENRWUELSA-N
MW262.31 g/mol
LogP3.58
Rot. Bonds3

About [(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate

[(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate (PubChem CID 139093323) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is [(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate.

Molecular Properties

Compound Name[(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate
PubChem CID139093323
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name[(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate
SMILESCOC(=O)O/C(=C\C(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C15H18O4/c1-15(2,3)10-12(19-14(17)18-4)13(16)11-8-6-5-7-9-11/h5-10H,1-4H3/b12-10-
InChIKeyLBLUJIBRYFNJPR-BENRWUELSA-N
XLogP3.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-[(Z)-3,3-dimethyl-1-phenylbut-1-enyl]propanedioate
CID 71732452
methoxycarbonyl 2-benzoyl-2-methylpent-4-enoate
CID 10612481
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
[(E)-1-methoxy-3-oxo-3-phenylprop-1-en-2-yl] acetate
CID 132538322
methoxycarbonyl 2-methyl-3-oxo-3-phenylpropanoate
CID 174535402
(E)-1,2,4,4-tetraphenylpent-2-en-1-one
CID 101103780
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
methoxycarbonyl 2-benzoyl-2-methylhex-5-enoate
CID 10684902
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
1,2-diphenylethane-1,2-dione;iron
CID 70488368

Frequently Asked Questions

What is the IUPAC name of [(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate?
The IUPAC name of [(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate (CID 139093323) is [(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate.
What is the SMILES notation for [(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate?
The canonical SMILES for [(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate is COC(=O)O/C(=C\C(C)(C)C)C(=O)c1ccccc1.
What is the InChIKey of [(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate?
The InChIKey is LBLUJIBRYFNJPR-BENRWUELSA-N. The full InChI is InChI=1S/C15H18O4/c1-15(2,3)10-12(19-14(17)18-4)13(16)11-8-6-5-7-9-11/h5-10H,1-4H3/b12-10-.
What are the key properties of [(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate?
[(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate has a molecular weight of 262.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4,4-dimethyl-1-oxo-1-phenylpent-2-en-2-yl] methyl carbonate is sourced from PubChem (CID 139093323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).