[dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid

C8H10O8Si — CID 163406071

IUPAC[dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid
SMILESC=C(C)C(=O)OC[Si](C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C8H10O8Si/c1-4(2)5(9)16-3-17(6(10)11,7(12)13)8(14)15/h1,3H2,2H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyQTMHBPXERVUMOS-UHFFFAOYSA-N
MW262.25 g/mol
LogP0.87
Rot. Bonds6

About [dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid

[dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid (PubChem CID 163406071) has the molecular formula C8H10O8Si and a molecular weight of 262.25 g/mol. Its IUPAC name is [dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid.

Molecular Properties

Compound Name[dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid
PubChem CID163406071
Molecular FormulaC8H10O8Si
Molecular Weight262.25 g/mol
Exact Mass262.01
IUPAC Name[dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid
SMILESC=C(C)C(=O)OC[Si](C(=O)O)(C(=O)O)C(=O)O
InChIInChI=1S/C8H10O8Si/c1-4(2)5(9)16-3-17(6(10)11,7(12)13)8(14)15/h1,3H2,2H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyQTMHBPXERVUMOS-UHFFFAOYSA-N
XLogP0.87
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

trichlorosilylmethyl 2-methylprop-2-enoate
CID 22457275
[chloro(diethyl)silyl]methyl 2-methylprop-2-enoate
CID 156690529
ethyl 2-methylprop-2-enoate
CID 130475774
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
hydroxymethyl 2-methylprop-2-enoate
CID 159274421
2-methylprop-2-enoic acid;propan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
CID 160722442
tripropoxysilylmethyl 2-methylprop-2-enoate
CID 22266632
[dimethoxy(phenyl)silyl]methyl 2-methylprop-2-enoate
CID 66629429
[dimethyl(prop-2-enoyloxymethyl)silyl]methyl 2-methylprop-2-enoate
CID 150664135
tris(tripropylsilyloxy)silylmethyl 2-methylprop-2-enoate
CID 171058420
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289

Frequently Asked Questions

What is the IUPAC name of [dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid?
The IUPAC name of [dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid (CID 163406071) is [dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid.
What is the SMILES notation for [dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid?
The canonical SMILES for [dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid is C=C(C)C(=O)OC[Si](C(=O)O)(C(=O)O)C(=O)O.
What is the InChIKey of [dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid?
The InChIKey is QTMHBPXERVUMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O8Si/c1-4(2)5(9)16-3-17(6(10)11,7(12)13)8(14)15/h1,3H2,2H3,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of [dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid?
[dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid has a molecular weight of 262.25 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dicarboxy(2-methylprop-2-enoyloxymethyl)silyl]formic acid is sourced from PubChem (CID 163406071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).