[1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid

C18H20O9 — CID 174415420

IUPAC[1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid
SMILESC=C(C)C(=O)OC(C)(O)OC(=O)C(=C)C.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C10H14O5.C8H6O4/c1-6(2)8(11)14-10(5,13)15-9(12)7(3)4;9-7(10)5-3-1-2-4-6(5)8(11)12/h13H,1,3H2,2,4-5H3;1-4H,(H,9,10)(H,11,12)
InChIKeyPHVCFENDCHRCMS-UHFFFAOYSA-N
MW380.35 g/mol
LogP1.97
Rot. Bonds6

About [1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid

[1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid (PubChem CID 174415420) has the molecular formula C18H20O9 and a molecular weight of 380.35 g/mol. Its IUPAC name is [1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid.

Molecular Properties

Compound Name[1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid
PubChem CID174415420
Molecular FormulaC18H20O9
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name[1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid
SMILESC=C(C)C(=O)OC(C)(O)OC(=O)C(=C)C.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C10H14O5.C8H6O4/c1-6(2)8(11)14-10(5,13)15-9(12)7(3)4;9-7(10)5-3-1-2-4-6(5)8(11)12/h13H,1,3H2,2,4-5H3;1-4H,(H,9,10)(H,11,12)
InChIKeyPHVCFENDCHRCMS-UHFFFAOYSA-N
XLogP1.97
TPSA147.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
bis(2-methylprop-2-enamide);phthalic acid
CID 161166045
acetic acid;trityl 2-methylprop-2-enoate
CID 174941434
(2-methyl-1,3-diphenylpropan-2-yl) 2-methylprop-2-enoate
CID 175308811
2-methylprop-2-enoic acid;trityl 2-methylprop-2-enoate
CID 157298221
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
formaldehyde;phthalic acid
CID 174659618
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
2-(2,2-dihydroxypropoxycarbonyl)benzoic acid
CID 172836525
bis[2-methyl-3-(2-methylprop-2-enoyloxy)-2-(2-methylprop-2-enoyloxymethyl)propyl] benzene-1,2-dicarboxylate
CID 139753274
ethane;isocyanic acid;trityl 2-methylprop-2-enoate
CID 174509512
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 158146899

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid?
The IUPAC name of [1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid (CID 174415420) is [1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid.
What is the SMILES notation for [1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid?
The canonical SMILES for [1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid is C=C(C)C(=O)OC(C)(O)OC(=O)C(=C)C.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of [1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid?
The InChIKey is PHVCFENDCHRCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5.C8H6O4/c1-6(2)8(11)14-10(5,13)15-9(12)7(3)4;9-7(10)5-3-1-2-4-6(5)8(11)12/h13H,1,3H2,2,4-5H3;1-4H,(H,9,10)(H,11,12).
What are the key properties of [1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid?
[1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid has a molecular weight of 380.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-1-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate;phthalic acid is sourced from PubChem (CID 174415420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).