(E)-2-methyl-5-trimethoxysilylpent-2-enoic acid

C9H18O5Si — CID 18659285

IUPAC(E)-2-methyl-5-trimethoxysilylpent-2-enoic acid
SMILESCO[Si](CC/C=C(\C)C(=O)O)(OC)OC
InChIInChI=1S/C9H18O5Si/c1-8(9(10)11)6-5-7-15(12-2,13-3)14-4/h6H,5,7H2,1-4H3,(H,10,11)/b8-6+
InChIKeyZQWHWUQULYMMLL-SOFGYWHQSA-N
MW234.32 g/mol
LogP1.29
Rot. Bonds7

About (E)-2-methyl-5-trimethoxysilylpent-2-enoic acid

(E)-2-methyl-5-trimethoxysilylpent-2-enoic acid (PubChem CID 18659285) has the molecular formula C9H18O5Si and a molecular weight of 234.32 g/mol. Its IUPAC name is (E)-2-methyl-5-trimethoxysilylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-5-trimethoxysilylpent-2-enoic acid
PubChem CID18659285
Molecular FormulaC9H18O5Si
Molecular Weight234.32 g/mol
Exact Mass234.09
IUPAC Name(E)-2-methyl-5-trimethoxysilylpent-2-enoic acid
SMILESCO[Si](CC/C=C(\C)C(=O)O)(OC)OC
InChIInChI=1S/C9H18O5Si/c1-8(9(10)11)6-5-7-15(12-2,13-3)14-4/h6H,5,7H2,1-4H3,(H,10,11)/b8-6+
InChIKeyZQWHWUQULYMMLL-SOFGYWHQSA-N
XLogP1.29
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 51.29
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 (E)-2-methyl-5-trimethoxysilylpent-2-enoic acid?
The IUPAC name of (E)-2-methyl-5-trimethoxysilylpent-2-enoic acid (CID 18659285) is (E)-2-methyl-5-trimethoxysilylpent-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-5-trimethoxysilylpent-2-enoic acid?
The canonical SMILES for (E)-2-methyl-5-trimethoxysilylpent-2-enoic acid is CO[Si](CC/C=C(\C)C(=O)O)(OC)OC.
What is the InChIKey of (E)-2-methyl-5-trimethoxysilylpent-2-enoic acid?
The InChIKey is ZQWHWUQULYMMLL-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18O5Si/c1-8(9(10)11)6-5-7-15(12-2,13-3)14-4/h6H,5,7H2,1-4H3,(H,10,11)/b8-6+.
What are the key properties of (E)-2-methyl-5-trimethoxysilylpent-2-enoic acid?
(E)-2-methyl-5-trimethoxysilylpent-2-enoic acid has a molecular weight of 234.32 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-5-trimethoxysilylpent-2-enoic acid is sourced from PubChem (CID 18659285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).