methyl (2Z)-5,5-diphenylpenta-2,4-dienoate

C18H16O2 — CID 92534378

IUPACmethyl (2Z)-5,5-diphenylpenta-2,4-dienoate
SMILESCOC(=O)/C=C\C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O2/c1-20-18(19)14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3/b14-8-
InChIKeyRXSQYCYZFXKHKU-ZSOIEALJSA-N
MW264.32 g/mol
LogP3.85
Rot. Bonds4

About methyl (2Z)-5,5-diphenylpenta-2,4-dienoate

methyl (2Z)-5,5-diphenylpenta-2,4-dienoate (PubChem CID 92534378) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl (2Z)-5,5-diphenylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z)-5,5-diphenylpenta-2,4-dienoate
PubChem CID92534378
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Namemethyl (2Z)-5,5-diphenylpenta-2,4-dienoate
SMILESCOC(=O)/C=C\C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16O2/c1-20-18(19)14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3/b14-8-
InChIKeyRXSQYCYZFXKHKU-ZSOIEALJSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 54355919
methyl (2E,4E)-5-(2-methoxyphenyl)-5-(4-methoxyphenyl)penta-2,4-dienoate
CID 14347267
ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 88605067
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
methyl (E)-4,5-dioxo-5-phenylpent-2-enoate
CID 166068266
ethyl (2E,4E)-5-phenyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoate
CID 57386566
methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate
CID 18740011
dimethyl (2E,4E)-3-phenylhexa-2,4-dienedioate
CID 132558709
[(4Z,6Z)-8-methoxy-2-methyl-8-oxoocta-2,4,6-trien-3-yl] benzoate
CID 11630606
methyl (E)-3-phenylbut-2-enoate
CID 5354835
methyl 2-methoxy-6-oxo-6-phenylhexa-2,4-dienoate
CID 71333234
methyl 4-oxo-6-phenylhexa-2,5-dienoate
CID 57362438

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-5,5-diphenylpenta-2,4-dienoate?
The IUPAC name of methyl (2Z)-5,5-diphenylpenta-2,4-dienoate (CID 92534378) is methyl (2Z)-5,5-diphenylpenta-2,4-dienoate.
What is the SMILES notation for methyl (2Z)-5,5-diphenylpenta-2,4-dienoate?
The canonical SMILES for methyl (2Z)-5,5-diphenylpenta-2,4-dienoate is COC(=O)/C=C\C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2Z)-5,5-diphenylpenta-2,4-dienoate?
The InChIKey is RXSQYCYZFXKHKU-ZSOIEALJSA-N. The full InChI is InChI=1S/C18H16O2/c1-20-18(19)14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3/b14-8-.
What are the key properties of methyl (2Z)-5,5-diphenylpenta-2,4-dienoate?
methyl (2Z)-5,5-diphenylpenta-2,4-dienoate has a molecular weight of 264.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-5,5-diphenylpenta-2,4-dienoate is sourced from PubChem (CID 92534378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).