methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate

C14H18O2 — CID 138976651

IUPACmethyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate
SMILESCOC(=O)/C(=C(/C)c1ccccc1)C(C)C
InChIInChI=1S/C14H18O2/c1-10(2)13(14(15)16-4)11(3)12-8-6-5-7-9-12/h5-10H,1-4H3/b13-11-
InChIKeyUDGILSWHGUIYBK-QBFSEMIESA-N
MW218.30 g/mol
LogP3.29
Rot. Bonds3

About methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate

methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate (PubChem CID 138976651) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate
PubChem CID138976651
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate
SMILESCOC(=O)/C(=C(/C)c1ccccc1)C(C)C
InChIInChI=1S/C14H18O2/c1-10(2)13(14(15)16-4)11(3)12-8-6-5-7-9-12/h5-10H,1-4H3/b13-11-
InChIKeyUDGILSWHGUIYBK-QBFSEMIESA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.29
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

methyl (2Z)-2-methyl-5,5-diphenylpenta-2,4-dienoate
CID 18740011
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
methyl (E)-2-cyclohexyl-3-phenylbut-2-enoate
CID 11230667
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
methyl 3-phenyl-2,3-di(propan-2-yloxy)prop-2-enoate
CID 139724579
dimethyl (2E)-2-(1-hydroxyethylidene)-3-phenylbutanedioate
CID 134123388
methyl 4-[(Z)-1-(4-methoxycarbonylphenyl)-1-phenylprop-1-en-2-yl]benzoate
CID 102180491
methyl (E)-2-methyl-4-oxo-4-phenylbut-2-enoate
CID 641404
methyl 4-methyl-3-phenylpent-2-enoate
CID 85106865
methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate
CID 85197685
methyl 2-benzamido-4-methylpent-2-enoate
CID 71400450
CID 22025249
CID 22025249

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate?
The IUPAC name of methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate (CID 138976651) is methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate.
What is the SMILES notation for methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate?
The canonical SMILES for methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate is COC(=O)/C(=C(/C)c1ccccc1)C(C)C.
What is the InChIKey of methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate?
The InChIKey is UDGILSWHGUIYBK-QBFSEMIESA-N. The full InChI is InChI=1S/C14H18O2/c1-10(2)13(14(15)16-4)11(3)12-8-6-5-7-9-12/h5-10H,1-4H3/b13-11-.
What are the key properties of methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate?
methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate has a molecular weight of 218.30 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-phenyl-2-propan-2-ylbut-2-enoate is sourced from PubChem (CID 138976651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).