zinc bis((E)-2-methyl-3-phenylprop-2-enoate)

C20H18O4Zn — CID 19869367

IUPACzinc bis((E)-2-methyl-3-phenylprop-2-enoate)
SMILESC/C(=C\c1ccccc1)C(=O)[O-].C/C(=C\c1ccccc1)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C10H10O2.Zn/c2*1-8(10(11)12)7-9-5-3-2-4-6-9;/h2*2-7H,1H3,(H,11,12);/q;;+2/p-2/b2*8-7+;
InChIKeyNVEYDRNWCRZNEI-ORWWTJHYSA-L
MW387.75 g/mol
LogP1.68
Rot. Bonds4

About zinc bis((E)-2-methyl-3-phenylprop-2-enoate)

zinc bis((E)-2-methyl-3-phenylprop-2-enoate) (PubChem CID 19869367) has the molecular formula C20H18O4Zn and a molecular weight of 387.75 g/mol. Its IUPAC name is zinc bis((E)-2-methyl-3-phenylprop-2-enoate).

Molecular Properties

Compound Namezinc bis((E)-2-methyl-3-phenylprop-2-enoate)
PubChem CID19869367
Molecular FormulaC20H18O4Zn
Molecular Weight387.75 g/mol
Exact Mass386.05
IUPAC Namezinc bis((E)-2-methyl-3-phenylprop-2-enoate)
SMILESC/C(=C\c1ccccc1)C(=O)[O-].C/C(=C\c1ccccc1)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C10H10O2.Zn/c2*1-8(10(11)12)7-9-5-3-2-4-6-9;/h2*2-7H,1H3,(H,11,12);/q;;+2/p-2/b2*8-7+;
InChIKeyNVEYDRNWCRZNEI-ORWWTJHYSA-L
XLogP1.68
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(E)-3-(4-fluorophenyl)-2-methylprop-2-enoate;triphenylstannanylium
CID 71530301
(E)-3-methyl-2-oxo-4-phenylbut-3-enoic acid
CID 15110556
(Z)-2-methyl-3-phenylprop-2-enoyl chloride
CID 5355069
(Z)-2-methyl-N-oxo-3-phenylprop-2-enamide
CID 134576531
(E)-2-methyl-3-phenyl-1-trimethylsilylprop-2-en-1-one
CID 6394466
(E)-N,N,2-trimethyl-3-phenylprop-2-enamide
CID 6372631
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
2-carboxy-3-phenylprop-2-enoate
CID 5248661
(E)-2-fluoro-3-phenylprop-2-enoate
CID 20564685
(1E,4E)-2-methyl-1-phenylhexa-1,4-dien-3-one
CID 11355910
2-methyl-N-nitro-3-phenylprop-2-enamide
CID 66709876
3-[4-(2-carboxyprop-1-enyl)phenyl]-2-methylprop-2-enoic acid
CID 54467707

Frequently Asked Questions

What is the IUPAC name of zinc bis((E)-2-methyl-3-phenylprop-2-enoate)?
The IUPAC name of zinc bis((E)-2-methyl-3-phenylprop-2-enoate) (CID 19869367) is zinc bis((E)-2-methyl-3-phenylprop-2-enoate).
What is the SMILES notation for zinc bis((E)-2-methyl-3-phenylprop-2-enoate)?
The canonical SMILES for zinc bis((E)-2-methyl-3-phenylprop-2-enoate) is C/C(=C\c1ccccc1)C(=O)[O-].C/C(=C\c1ccccc1)C(=O)[O-].[Zn+2].
What is the InChIKey of zinc bis((E)-2-methyl-3-phenylprop-2-enoate)?
The InChIKey is NVEYDRNWCRZNEI-ORWWTJHYSA-L. The full InChI is InChI=1S/2C10H10O2.Zn/c2*1-8(10(11)12)7-9-5-3-2-4-6-9;/h2*2-7H,1H3,(H,11,12);/q;;+2/p-2/b2*8-7+;.
What are the key properties of zinc bis((E)-2-methyl-3-phenylprop-2-enoate)?
zinc bis((E)-2-methyl-3-phenylprop-2-enoate) has a molecular weight of 387.75 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis((E)-2-methyl-3-phenylprop-2-enoate) is sourced from PubChem (CID 19869367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).