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

C19H18O2 — CID 18740011

IUPACmethyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate
SMILESCOC(=O)/C(C)=C\C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O2/c1-15(19(20)21-2)13-14-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1-2H3/b15-13-
InChIKeyLSWXOPQMNDIKPO-SQFISAMPSA-N
MW278.35 g/mol
LogP4.24
Rot. Bonds4

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

methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate (PubChem CID 18740011) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate
PubChem CID18740011
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Namemethyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate
SMILESCOC(=O)/C(C)=C\C=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18O2/c1-15(19(20)21-2)13-14-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1-2H3/b15-13-
InChIKeyLSWXOPQMNDIKPO-SQFISAMPSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.24
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 (E)-2-methyl-4-oxo-4-phenylbut-2-enoate
CID 641404
methyl (2Z)-5,5-diphenylpenta-2,4-dienoate
CID 92534378
methyl (2E)-2,5-dimethylhexa-2,4-dienoate
CID 12700317
methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate
CID 138976651
(2Z)-5,5-diphenyl-2-prop-1-en-2-ylpenta-2,4-dienoic acid
CID 142147840
methyl (2E)-2-phenylpenta-2,4-dienoate
CID 102389363
methyl 2-phenylpenta-2,4-dienoate
CID 73023142
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
methyl (E)-3-fluoro-2-phenylprop-2-enoate
CID 10607451
methyl (Z)-4-amino-2-oxo-4-phenylbut-3-enoate
CID 13165118
methyl 2-amino-4-oxo-4-phenylbut-2-enoate
CID 85280020

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate?
The IUPAC name of methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate (CID 18740011) is methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate.
What is the SMILES notation for methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate?
The canonical SMILES for methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate is COC(=O)/C(C)=C\C=C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate?
The InChIKey is LSWXOPQMNDIKPO-SQFISAMPSA-N. The full InChI is InChI=1S/C19H18O2/c1-15(19(20)21-2)13-14-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-14H,1-2H3/b15-13-.
What are the key properties of methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate?
methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate has a molecular weight of 278.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate is sourced from PubChem (CID 18740011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).