(E)-2-methyl-3-silyloxyprop-2-enoic acid

C4H8O3Si — CID 173096363

IUPAC(E)-2-methyl-3-silyloxyprop-2-enoic acid
SMILESC/C(=C\O[SiH3])C(=O)O
InChIInChI=1S/C4H8O3Si/c1-3(2-7-8)4(5)6/h2H,1,8H3,(H,5,6)/b3-2+
InChIKeyLVFLHAMBYLTFIV-NSCUHMNNSA-N
MW132.19 g/mol
LogP-0.73
Rot. Bonds2

About (E)-2-methyl-3-silyloxyprop-2-enoic acid

(E)-2-methyl-3-silyloxyprop-2-enoic acid (PubChem CID 173096363) has the molecular formula C4H8O3Si and a molecular weight of 132.19 g/mol. Its IUPAC name is (E)-2-methyl-3-silyloxyprop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-3-silyloxyprop-2-enoic acid
PubChem CID173096363
Molecular FormulaC4H8O3Si
Molecular Weight132.19 g/mol
Exact Mass132.02
IUPAC Name(E)-2-methyl-3-silyloxyprop-2-enoic acid
SMILESC/C(=C\O[SiH3])C(=O)O
InChIInChI=1S/C4H8O3Si/c1-3(2-7-8)4(5)6/h2H,1,8H3,(H,5,6)/b3-2+
InChIKeyLVFLHAMBYLTFIV-NSCUHMNNSA-N
XLogP-0.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-methyl-3-trimethylsilyloxyprop-2-enoic acid
CID 131356298
methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid
CID 87773746
3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid
CID 160866094
2-methylprop-1-enoxysilane
CID 102151520
methane;2-methyl-3-silylprop-2-enoic acid
CID 173490193
(E)-2-methyl-3-(2,2,2-trifluoroacetyl)oxyprop-2-enoic acid
CID 88636175
3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid
CID 87559125
(E)-2-methylbut-2-enoic acid;hydrochloride
CID 87583281
2-methylbut-2-enoic acid;yttrium
CID 76824008
2-methylbut-2-enoic acid;silane
CID 173038853
acetic acid;(E)-2-methylbut-2-enoic acid
CID 88739712
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylprop-2-enoic acid
CID 173082103

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-silyloxyprop-2-enoic acid?
The IUPAC name of (E)-2-methyl-3-silyloxyprop-2-enoic acid (CID 173096363) is (E)-2-methyl-3-silyloxyprop-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-3-silyloxyprop-2-enoic acid?
The canonical SMILES for (E)-2-methyl-3-silyloxyprop-2-enoic acid is C/C(=C\O[SiH3])C(=O)O.
What is the InChIKey of (E)-2-methyl-3-silyloxyprop-2-enoic acid?
The InChIKey is LVFLHAMBYLTFIV-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H8O3Si/c1-3(2-7-8)4(5)6/h2H,1,8H3,(H,5,6)/b3-2+.
What are the key properties of (E)-2-methyl-3-silyloxyprop-2-enoic acid?
(E)-2-methyl-3-silyloxyprop-2-enoic acid has a molecular weight of 132.19 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-silyloxyprop-2-enoic acid is sourced from PubChem (CID 173096363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).