2-methyl-3-trimethoxysilylprop-2-enoic acid;silane

C7H18O5Si2 — CID 174945961

IUPAC2-methyl-3-trimethoxysilylprop-2-enoic acid;silane
SMILESCO[Si](C=C(C)C(=O)O)(OC)OC.[SiH4]
InChIInChI=1S/C7H14O5Si.H4Si/c1-6(7(8)9)5-13(10-2,11-3)12-4;/h5H,1-4H3,(H,8,9);1H4
InChIKeyDBUWZHVHLMBWKC-UHFFFAOYSA-N
MW238.39 g/mol
LogP-1.02
Rot. Bonds5

About 2-methyl-3-trimethoxysilylprop-2-enoic acid;silane

2-methyl-3-trimethoxysilylprop-2-enoic acid;silane (PubChem CID 174945961) has the molecular formula C7H18O5Si2 and a molecular weight of 238.39 g/mol. Its IUPAC name is 2-methyl-3-trimethoxysilylprop-2-enoic acid;silane.

Molecular Properties

Compound Name2-methyl-3-trimethoxysilylprop-2-enoic acid;silane
PubChem CID174945961
Molecular FormulaC7H18O5Si2
Molecular Weight238.39 g/mol
Exact Mass238.07
IUPAC Name2-methyl-3-trimethoxysilylprop-2-enoic acid;silane
SMILESCO[Si](C=C(C)C(=O)O)(OC)OC.[SiH4]
InChIInChI=1S/C7H14O5Si.H4Si/c1-6(7(8)9)5-13(10-2,11-3)12-4;/h5H,1-4H3,(H,8,9);1H4
InChIKeyDBUWZHVHLMBWKC-UHFFFAOYSA-N
XLogP-1.02
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.39
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-trimethoxysilylprop-2-enoic acid;silane?
The IUPAC name of 2-methyl-3-trimethoxysilylprop-2-enoic acid;silane (CID 174945961) is 2-methyl-3-trimethoxysilylprop-2-enoic acid;silane.
What is the SMILES notation for 2-methyl-3-trimethoxysilylprop-2-enoic acid;silane?
The canonical SMILES for 2-methyl-3-trimethoxysilylprop-2-enoic acid;silane is CO[Si](C=C(C)C(=O)O)(OC)OC.[SiH4].
What is the InChIKey of 2-methyl-3-trimethoxysilylprop-2-enoic acid;silane?
The InChIKey is DBUWZHVHLMBWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5Si.H4Si/c1-6(7(8)9)5-13(10-2,11-3)12-4;/h5H,1-4H3,(H,8,9);1H4.
What are the key properties of 2-methyl-3-trimethoxysilylprop-2-enoic acid;silane?
2-methyl-3-trimethoxysilylprop-2-enoic acid;silane has a molecular weight of 238.39 g/mol, XLogP of -1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-trimethoxysilylprop-2-enoic acid;silane is sourced from PubChem (CID 174945961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).