bis((E)-3-phenylprop-2-enoic acid);zinc

C18H16O4Zn — CID 11291345

IUPACbis((E)-3-phenylprop-2-enoic acid);zinc
SMILESO=C(O)/C=C/c1ccccc1.O=C(O)/C=C/c1ccccc1.[Zn]
InChIInChI=1S/2C9H8O2.Zn/c2*10-9(11)7-6-8-4-2-1-3-5-8;/h2*1-7H,(H,10,11);/b2*7-6+;
InChIKeyHWDBKXIXVVZMDX-RWUXNGIBSA-N
MW361.71 g/mol
LogP3.57
Rot. Bonds4

About bis((E)-3-phenylprop-2-enoic acid);zinc

bis((E)-3-phenylprop-2-enoic acid);zinc (PubChem CID 11291345) has the molecular formula C18H16O4Zn and a molecular weight of 361.71 g/mol. Its IUPAC name is bis((E)-3-phenylprop-2-enoic acid);zinc.

Molecular Properties

Compound Namebis((E)-3-phenylprop-2-enoic acid);zinc
PubChem CID11291345
Molecular FormulaC18H16O4Zn
Molecular Weight361.71 g/mol
Exact Mass360.03
IUPAC Namebis((E)-3-phenylprop-2-enoic acid);zinc
SMILESO=C(O)/C=C/c1ccccc1.O=C(O)/C=C/c1ccccc1.[Zn]
InChIInChI=1S/2C9H8O2.Zn/c2*10-9(11)7-6-8-4-2-1-3-5-8;/h2*1-7H,(H,10,11);/b2*7-6+;
InChIKeyHWDBKXIXVVZMDX-RWUXNGIBSA-N
XLogP3.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-phenylprop-2-enoic acid
CID 5372954
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
CID 131855579
CID 131855579
azane;3-phenylprop-2-enoic acid
CID 66894546
3-phenylprop-2-enoic acid;trimethylsilane
CID 175438890
ethane;methanamine;(E)-3-phenylprop-2-enoic acid
CID 142207731
ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid
CID 141192681
ethanol;3-phenylprop-2-enoic acid
CID 158830805
diphenylmethanone;(E)-3-phenylprop-2-enoic acid
CID 70019468
(2E,5E)-4-oxo-6-phenylhexa-2,5-dienoic acid
CID 14270149
2-methylprop-2-enoic acid;3-phenylprop-2-enoic acid
CID 157125853

Frequently Asked Questions

What is the IUPAC name of bis((E)-3-phenylprop-2-enoic acid);zinc?
The IUPAC name of bis((E)-3-phenylprop-2-enoic acid);zinc (CID 11291345) is bis((E)-3-phenylprop-2-enoic acid);zinc.
What is the SMILES notation for bis((E)-3-phenylprop-2-enoic acid);zinc?
The canonical SMILES for bis((E)-3-phenylprop-2-enoic acid);zinc is O=C(O)/C=C/c1ccccc1.O=C(O)/C=C/c1ccccc1.[Zn].
What is the InChIKey of bis((E)-3-phenylprop-2-enoic acid);zinc?
The InChIKey is HWDBKXIXVVZMDX-RWUXNGIBSA-N. The full InChI is InChI=1S/2C9H8O2.Zn/c2*10-9(11)7-6-8-4-2-1-3-5-8;/h2*1-7H,(H,10,11);/b2*7-6+;.
What are the key properties of bis((E)-3-phenylprop-2-enoic acid);zinc?
bis((E)-3-phenylprop-2-enoic acid);zinc has a molecular weight of 361.71 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis((E)-3-phenylprop-2-enoic acid);zinc is sourced from PubChem (CID 11291345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).