2-dimethoxysilyl-2-methylhexanoic acid

C9H20O4Si — CID 150961292

IUPAC2-dimethoxysilyl-2-methylhexanoic acid
SMILESCCCCC(C)(C(=O)O)[SiH](OC)OC
InChIInChI=1S/C9H20O4Si/c1-5-6-7-9(2,8(10)11)14(12-3)13-4/h14H,5-7H2,1-4H3,(H,10,11)
InChIKeyLMDPAYFTFAEXNX-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.53
Rot. Bonds7

About 2-dimethoxysilyl-2-methylhexanoic acid

2-dimethoxysilyl-2-methylhexanoic acid (PubChem CID 150961292) has the molecular formula C9H20O4Si and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-dimethoxysilyl-2-methylhexanoic acid.

Molecular Properties

Compound Name2-dimethoxysilyl-2-methylhexanoic acid
PubChem CID150961292
Molecular FormulaC9H20O4Si
Molecular Weight220.34 g/mol
Exact Mass220.11
IUPAC Name2-dimethoxysilyl-2-methylhexanoic acid
SMILESCCCCC(C)(C(=O)O)[SiH](OC)OC
InChIInChI=1S/C9H20O4Si/c1-5-6-7-9(2,8(10)11)14(12-3)13-4/h14H,5-7H2,1-4H3,(H,10,11)
InChIKeyLMDPAYFTFAEXNX-UHFFFAOYSA-N
XLogP1.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-dimethoxysilyl-2-methylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxysilyl-2-methylhexanoic acid?
The IUPAC name of 2-dimethoxysilyl-2-methylhexanoic acid (CID 150961292) is 2-dimethoxysilyl-2-methylhexanoic acid.
What is the SMILES notation for 2-dimethoxysilyl-2-methylhexanoic acid?
The canonical SMILES for 2-dimethoxysilyl-2-methylhexanoic acid is CCCCC(C)(C(=O)O)[SiH](OC)OC.
What is the InChIKey of 2-dimethoxysilyl-2-methylhexanoic acid?
The InChIKey is LMDPAYFTFAEXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si/c1-5-6-7-9(2,8(10)11)14(12-3)13-4/h14H,5-7H2,1-4H3,(H,10,11).
What are the key properties of 2-dimethoxysilyl-2-methylhexanoic acid?
2-dimethoxysilyl-2-methylhexanoic acid has a molecular weight of 220.34 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxysilyl-2-methylhexanoic acid is sourced from PubChem (CID 150961292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).