zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate

C19H18O10Zn — CID 159790873

IUPACzinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCOC(=O)CCOC(=O)C=C.O=C([O-])c1ccccc1C(=O)[O-].[Zn+2]
InChIInChI=1S/C11H14O6.C8H6O4.Zn/c1-3-9(12)15-6-5-11(14)17-8-7-16-10(13)4-2;9-7(10)5-3-1-2-4-6(5)8(11)12;/h3-4H,1-2,5-8H2;1-4H,(H,9,10)(H,11,12);/q;;+2/p-2
InChIKeyNINPWJAYQIDUNQ-UHFFFAOYSA-L
MW471.73 g/mol
LogP-1.21
Rot. Bonds10

About zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate

zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate (PubChem CID 159790873) has the molecular formula C19H18O10Zn and a molecular weight of 471.73 g/mol. Its IUPAC name is zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate.

Molecular Properties

Compound Namezinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate
PubChem CID159790873
Molecular FormulaC19H18O10Zn
Molecular Weight471.73 g/mol
Exact Mass470.02
IUPAC Namezinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate
SMILESC=CC(=O)OCCOC(=O)CCOC(=O)C=C.O=C([O-])c1ccccc1C(=O)[O-].[Zn+2]
InChIInChI=1S/C11H14O6.C8H6O4.Zn/c1-3-9(12)15-6-5-11(14)17-8-7-16-10(13)4-2;9-7(10)5-3-1-2-4-6(5)8(11)12;/h3-4H,1-2,5-8H2;1-4H,(H,9,10)(H,11,12);/q;;+2/p-2
InChIKeyNINPWJAYQIDUNQ-UHFFFAOYSA-L
XLogP-1.21
TPSA159.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.73
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azanium 2-(2-prop-2-enoyloxyethoxycarbonyl)benzoate
CID 172770687
zinc 2-(2-prop-2-enoyloxyethylperoxy)benzoate
CID 22348574
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-prop-2-enoyloxyethyl 4-phenylbutanoate
CID 66685598
phthalic acid;2-prop-2-enoyloxyethyl octadecanoate
CID 159282243
2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate
CID 88525710
1-O-[2-[2-(4-chlorobenzoyl)phenoxy]ethyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate
CID 175485181
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
(4-phenylphenyl) 3-prop-2-enoyloxypropanoate
CID 171768556
3-aminopropyl 3-prop-2-enoyloxypropanoate
CID 142038573
bis(25-prop-2-enoyloxypentacosyl) benzene-1,2-dicarboxylate
CID 101299992
bis(37-prop-2-enoyloxyheptatriacontyl) benzene-1,2-dicarboxylate
CID 101300004

Frequently Asked Questions

What is the IUPAC name of zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate?
The IUPAC name of zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate (CID 159790873) is zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate.
What is the SMILES notation for zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate?
The canonical SMILES for zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate is C=CC(=O)OCCOC(=O)CCOC(=O)C=C.O=C([O-])c1ccccc1C(=O)[O-].[Zn+2].
What is the InChIKey of zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate?
The InChIKey is NINPWJAYQIDUNQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H14O6.C8H6O4.Zn/c1-3-9(12)15-6-5-11(14)17-8-7-16-10(13)4-2;9-7(10)5-3-1-2-4-6(5)8(11)12;/h3-4H,1-2,5-8H2;1-4H,(H,9,10)(H,11,12);/q;;+2/p-2.
What are the key properties of zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate?
zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate has a molecular weight of 471.73 g/mol, XLogP of -1.21, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;phthalate;2-prop-2-enoyloxyethyl 3-prop-2-enoyloxypropanoate is sourced from PubChem (CID 159790873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).