3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid

C11H26O4Si3 — CID 123762143

IUPAC3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid
SMILESCC(=C[SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C11H26O4Si3/c1-9(10(12)13)8-16-11(14-17(2,3)4)15-18(5,6)7/h8,11H,16H2,1-7H3,(H,12,13)
InChIKeyRNKVATQVWZWMNO-UHFFFAOYSA-N
MW306.58 g/mol
LogP2.13
Rot. Bonds7

About 3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid

3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid (PubChem CID 123762143) has the molecular formula C11H26O4Si3 and a molecular weight of 306.58 g/mol. Its IUPAC name is 3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid
PubChem CID123762143
Molecular FormulaC11H26O4Si3
Molecular Weight306.58 g/mol
Exact Mass306.11
IUPAC Name3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid
SMILESCC(=C[SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C11H26O4Si3/c1-9(10(12)13)8-16-11(14-17(2,3)4)15-18(5,6)7/h8,11H,16H2,1-7H3,(H,12,13)
InChIKeyRNKVATQVWZWMNO-UHFFFAOYSA-N
XLogP2.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.58
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

[ethenylsilyl(trimethylsilyloxy)methoxy]-trimethylsilane
CID 123416979
(E)-2-methyl-3-methylsilylprop-2-enoic acid
CID 173323180
(E)-2-methyl-3-trimethylsilyloxyprop-2-enoic acid
CID 131356298
(E)-3-[dimethyl(trimethylsilyloxy)silyl]-2-methylprop-2-enoic acid
CID 173194037
(E)-4,4-dimethoxy-2-methylbut-2-enoic acid
CID 87276147
dihydroxy-bis(trimethylsilyloxy)phosphanium
CID 87514134
bis((E)-2-methylbut-2-enedioic acid);zirconium
CID 146019810
[silyl(trimethylsilyloxy)methyl] 2-methylbut-2-enoate
CID 123793522
(E)-2-methyl-6-tri(propan-2-yloxy)silylhex-2-enoic acid
CID 87648980
3-isocyanatosilyl-2-methylprop-2-enoic acid
CID 173377386
5-hydroxy-2,4-dimethylhex-2-enoic acid
CID 54037890
(E)-2-methylbut-2-enoic acid;hydrochloride
CID 87583281

Frequently Asked Questions

What is the IUPAC name of 3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid?
The IUPAC name of 3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid (CID 123762143) is 3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid?
The canonical SMILES for 3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid is CC(=C[SiH2]C(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)O.
What is the InChIKey of 3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid?
The InChIKey is RNKVATQVWZWMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O4Si3/c1-9(10(12)13)8-16-11(14-17(2,3)4)15-18(5,6)7/h8,11H,16H2,1-7H3,(H,12,13).
What are the key properties of 3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid?
3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid has a molecular weight of 306.58 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(trimethylsilyloxy)methylsilyl]-2-methylprop-2-enoic acid is sourced from PubChem (CID 123762143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).