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

C13H14O2 — CID 134919344

IUPACmethyl 4-methyl-5-phenylpenta-2,3-dienoate
SMILESCOC(=O)C=C=C(C)Cc1ccccc1
InChIInChI=1S/C13H14O2/c1-11(8-9-13(14)15-2)10-12-6-4-3-5-7-12/h3-7,9H,10H2,1-2H3
InChIKeyCZNKDZWSZOYBQQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.50
Rot. Bonds3

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

methyl 4-methyl-5-phenylpenta-2,3-dienoate (PubChem CID 134919344) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 4-methyl-5-phenylpenta-2,3-dienoate.

Molecular Properties

Compound Namemethyl 4-methyl-5-phenylpenta-2,3-dienoate
PubChem CID134919344
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Namemethyl 4-methyl-5-phenylpenta-2,3-dienoate
SMILESCOC(=O)C=C=C(C)Cc1ccccc1
InChIInChI=1S/C13H14O2/c1-11(8-9-13(14)15-2)10-12-6-4-3-5-7-12/h3-7,9H,10H2,1-2H3
InChIKeyCZNKDZWSZOYBQQ-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-methoxy(3,4-13C2)penta-2,3-dienoate
CID 11790709
carbon dioxide;methyl 2-phenylacetate
CID 159198536
CID 172801156
CID 172801156
methyl acetate;phenylmethanol
CID 174674344
(E)-3-methyl-4-phenylbut-2-enoic acid
CID 6369541
3-methyl-4-phenylbut-2-enoic acid
CID 22414
benzene;1-phenylpropan-2-one
CID 21430852
methyl (Z)-3-methoxy-5-phenylpent-2-enoate
CID 101474318
2-methylocta-2,3-dienylbenzene
CID 42604070
ethyl (Z)-3-methyl-4-phenylbut-2-enoate
CID 14661101
methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate
CID 101474320
(E)-4-methyl-1,5-diphenylpent-3-en-2-one
CID 12877597

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-5-phenylpenta-2,3-dienoate?
The IUPAC name of methyl 4-methyl-5-phenylpenta-2,3-dienoate (CID 134919344) is methyl 4-methyl-5-phenylpenta-2,3-dienoate.
What is the SMILES notation for methyl 4-methyl-5-phenylpenta-2,3-dienoate?
The canonical SMILES for methyl 4-methyl-5-phenylpenta-2,3-dienoate is COC(=O)C=C=C(C)Cc1ccccc1.
What is the InChIKey of methyl 4-methyl-5-phenylpenta-2,3-dienoate?
The InChIKey is CZNKDZWSZOYBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-11(8-9-13(14)15-2)10-12-6-4-3-5-7-12/h3-7,9H,10H2,1-2H3.
What are the key properties of methyl 4-methyl-5-phenylpenta-2,3-dienoate?
methyl 4-methyl-5-phenylpenta-2,3-dienoate has a molecular weight of 202.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-5-phenylpenta-2,3-dienoate is sourced from PubChem (CID 134919344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).