methyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate

C15H18O2 — CID 174309939

IUPACmethyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate
SMILESCCC(C=Cc1ccccc1)=C(C)C(=O)OC
InChIInChI=1S/C15H18O2/c1-4-14(12(2)15(16)17-3)11-10-13-8-6-5-7-9-13/h5-11H,4H2,1-3H3
InChIKeyPTXNDRZOJSQNTQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.60
Rot. Bonds4

About methyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate

methyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate (PubChem CID 174309939) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate.

Molecular Properties

Compound Namemethyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate
PubChem CID174309939
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namemethyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate
SMILESCCC(C=Cc1ccccc1)=C(C)C(=O)OC
InChIInChI=1S/C15H18O2/c1-4-14(12(2)15(16)17-3)11-10-13-8-6-5-7-9-13/h5-11H,4H2,1-3H3
InChIKeyPTXNDRZOJSQNTQ-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.60
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

(3Z,5E)-4-methoxycarbonyl-3-methyl-6-phenylhexa-3,5-dienoic acid
CID 14911167
methyl (E,2E)-2-benzylidene-4-phenylbut-3-enoate
CID 23634618
methyl 2-methylidene-4-phenylbut-3-enoate;methyl 2-methylprop-2-enoate
CID 87484967
2-[(E)-1-phenylpent-1-en-3-ylidene]propanedinitrile
CID 102042134
methyl 2-methoxy-4-oxo-6-phenylhexa-2,5-dienoate
CID 90880390
methyl (2Z,4E)-2-acetamido-3-methyl-5-phenylpenta-2,4-dienoate
CID 10912235
dimethyl (E)-2-[(2E,4Z)-3-methyl-5-phenylpenta-2,4-dien-2-yl]but-2-enedioate
CID 100934564
methyl 2-imino-4-phenylbut-3-enoate
CID 91293785
methyl 3-benzyl-2-methylpenta-2,4-dienoate
CID 174507685
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
acetyl 3-phenylprop-2-enoate
CID 57206996
(7E)-2-methyl-6-oxo-8-phenyl-3-(2-phenylethenyl)octa-2,7-dienoic acid
CID 173175041

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate?
The IUPAC name of methyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate (CID 174309939) is methyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate.
What is the SMILES notation for methyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate?
The canonical SMILES for methyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate is CCC(C=Cc1ccccc1)=C(C)C(=O)OC.
What is the InChIKey of methyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate?
The InChIKey is PTXNDRZOJSQNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-4-14(12(2)15(16)17-3)11-10-13-8-6-5-7-9-13/h5-11H,4H2,1-3H3.
What are the key properties of methyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate?
methyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate has a molecular weight of 230.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-2-methyl-5-phenylpenta-2,4-dienoate is sourced from PubChem (CID 174309939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).