phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate

C16H16O8 — CID 162086806

IUPACphthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)C=C.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-7(9)11-5-6-12-8(10)4-2/h1-4H,(H,9,10)(H,11,12);3-4H,1-2,5-6H2
InChIKeyZDBOPWZPXDFCQY-UHFFFAOYSA-N
MW336.30 g/mol
LogP1.53
Rot. Bonds7

About phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate

phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate (PubChem CID 162086806) has the molecular formula C16H16O8 and a molecular weight of 336.30 g/mol. Its IUPAC name is phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate.

Molecular Properties

Compound Namephthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
PubChem CID162086806
Molecular FormulaC16H16O8
Molecular Weight336.30 g/mol
Exact Mass336.08
IUPAC Namephthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOC(=O)C=C.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-7(9)11-5-6-12-8(10)4-2/h1-4H,(H,9,10)(H,11,12);3-4H,1-2,5-6H2
InChIKeyZDBOPWZPXDFCQY-UHFFFAOYSA-N
XLogP1.53
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
phthalic acid;2-prop-2-enoyloxyethyl octadecanoate
CID 159282243
phthalic acid;prop-2-eneperoxoic acid
CID 159200094
2-[[2-(2-prop-2-enoyloxyethoxycarbamoyl)benzoyl]amino]oxyethyl prop-2-enoate
CID 88525710
ethyl carbamate;phthalic acid;prop-2-enoic acid
CID 172775257
2-(4-prop-2-enoyloxybutoxycarbonyl)benzoic acid;triethylazanium
CID 159862866
2-[4-(12-prop-2-enoyloxydodecoxy)phenoxy]carbonylbenzoic acid
CID 67719817
phthalic acid;prop-2-enamide
CID 89485931
2-prop-2-enoyloxyethyl 3-phenylprop-2-enoate
CID 53424506
bis(25-prop-2-enoyloxypentacosyl) benzene-1,2-dicarboxylate
CID 101299992
bis(37-prop-2-enoyloxyheptatriacontyl) benzene-1,2-dicarboxylate
CID 101300004
2-(2-hydroxyethyl)-3-(2-prop-2-enoyloxyethyl)terephthalic acid
CID 140978667

Frequently Asked Questions

What is the IUPAC name of phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate?
The IUPAC name of phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate (CID 162086806) is phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate.
What is the SMILES notation for phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate?
The canonical SMILES for phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate is C=CC(=O)OCCOC(=O)C=C.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate?
The InChIKey is ZDBOPWZPXDFCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C8H10O4/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-7(9)11-5-6-12-8(10)4-2/h1-4H,(H,9,10)(H,11,12);3-4H,1-2,5-6H2.
What are the key properties of phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate?
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate has a molecular weight of 336.30 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate is sourced from PubChem (CID 162086806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).