(E)-2-methyl-4-trimethoxysilylhex-2-enoic acid

C10H20O5Si — CID 22027069

IUPAC(E)-2-methyl-4-trimethoxysilylhex-2-enoic acid
SMILESCCC(/C=C(\C)C(=O)O)[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-6-9(7-8(2)10(11)12)16(13-3,14-4)15-5/h7,9H,6H2,1-5H3,(H,11,12)/b8-7+
InChIKeyYAFDLOXHPSDOEH-BQYQJAHWSA-N
MW248.35 g/mol
LogP1.68
Rot. Bonds7

About (E)-2-methyl-4-trimethoxysilylhex-2-enoic acid

(E)-2-methyl-4-trimethoxysilylhex-2-enoic acid (PubChem CID 22027069) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is (E)-2-methyl-4-trimethoxysilylhex-2-enoic acid.

Molecular Properties

Compound Name(E)-2-methyl-4-trimethoxysilylhex-2-enoic acid
PubChem CID22027069
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name(E)-2-methyl-4-trimethoxysilylhex-2-enoic acid
SMILESCCC(/C=C(\C)C(=O)O)[Si](OC)(OC)OC
InChIInChI=1S/C10H20O5Si/c1-6-9(7-8(2)10(11)12)16(13-3,14-4)15-5/h7,9H,6H2,1-5H3,(H,11,12)/b8-7+
InChIKeyYAFDLOXHPSDOEH-BQYQJAHWSA-N
XLogP1.68
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.68
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-4-trimethoxysilylhex-2-enoic acid?
The IUPAC name of (E)-2-methyl-4-trimethoxysilylhex-2-enoic acid (CID 22027069) is (E)-2-methyl-4-trimethoxysilylhex-2-enoic acid.
What is the SMILES notation for (E)-2-methyl-4-trimethoxysilylhex-2-enoic acid?
The canonical SMILES for (E)-2-methyl-4-trimethoxysilylhex-2-enoic acid is CCC(/C=C(\C)C(=O)O)[Si](OC)(OC)OC.
What is the InChIKey of (E)-2-methyl-4-trimethoxysilylhex-2-enoic acid?
The InChIKey is YAFDLOXHPSDOEH-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-6-9(7-8(2)10(11)12)16(13-3,14-4)15-5/h7,9H,6H2,1-5H3,(H,11,12)/b8-7+.
What are the key properties of (E)-2-methyl-4-trimethoxysilylhex-2-enoic acid?
(E)-2-methyl-4-trimethoxysilylhex-2-enoic acid has a molecular weight of 248.35 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-trimethoxysilylhex-2-enoic acid is sourced from PubChem (CID 22027069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).