(E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid

C10H20O4Si — CID 173113685

IUPAC(E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid
SMILESCCC/C([SiH2]C(OC)OC)=C(/C)C(=O)O
InChIInChI=1S/C10H20O4Si/c1-5-6-8(7(2)9(11)12)15-10(13-3)14-4/h10H,5-6,15H2,1-4H3,(H,11,12)/b8-7+
InChIKeyJUXMBUDSSDFBDJ-BQYQJAHWSA-N
MW232.35 g/mol
LogP0.89
Rot. Bonds7

About (E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid

(E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid (PubChem CID 173113685) has the molecular formula C10H20O4Si and a molecular weight of 232.35 g/mol. Its IUPAC name is (E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid
PubChem CID173113685
Molecular FormulaC10H20O4Si
Molecular Weight232.35 g/mol
Exact Mass232.11
IUPAC Name(E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid
SMILESCCC/C([SiH2]C(OC)OC)=C(/C)C(=O)O
InChIInChI=1S/C10H20O4Si/c1-5-6-8(7(2)9(11)12)15-10(13-3)14-4/h10H,5-6,15H2,1-4H3,(H,11,12)/b8-7+
InChIKeyJUXMBUDSSDFBDJ-BQYQJAHWSA-N
XLogP0.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.89
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid?
The IUPAC name of (E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid (CID 173113685) is (E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid.
What is the SMILES notation for (E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid?
The canonical SMILES for (E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid is CCC/C([SiH2]C(OC)OC)=C(/C)C(=O)O.
What is the InChIKey of (E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid?
The InChIKey is JUXMBUDSSDFBDJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H20O4Si/c1-5-6-8(7(2)9(11)12)15-10(13-3)14-4/h10H,5-6,15H2,1-4H3,(H,11,12)/b8-7+.
What are the key properties of (E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid?
(E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid has a molecular weight of 232.35 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethoxymethylsilyl)-2-methylhex-2-enoic acid is sourced from PubChem (CID 173113685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).