2-methoxysilyl-3-methyl-3-propylhexanoic acid

C11H24O3Si — CID 151163384

IUPAC2-methoxysilyl-3-methyl-3-propylhexanoic acid
SMILESCCCC(C)(CCC)C([SiH2]OC)C(=O)O
InChIInChI=1S/C11H24O3Si/c1-5-7-11(3,8-6-2)9(10(12)13)15-14-4/h9H,5-8,15H2,1-4H3,(H,12,13)
InChIKeyNASVNAMIIWDPTR-UHFFFAOYSA-N
MW232.40 g/mol
LogP2.20
Rot. Bonds8

About 2-methoxysilyl-3-methyl-3-propylhexanoic acid

2-methoxysilyl-3-methyl-3-propylhexanoic acid (PubChem CID 151163384) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is 2-methoxysilyl-3-methyl-3-propylhexanoic acid.

Molecular Properties

Compound Name2-methoxysilyl-3-methyl-3-propylhexanoic acid
PubChem CID151163384
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name2-methoxysilyl-3-methyl-3-propylhexanoic acid
SMILESCCCC(C)(CCC)C([SiH2]OC)C(=O)O
InChIInChI=1S/C11H24O3Si/c1-5-7-11(3,8-6-2)9(10(12)13)15-14-4/h9H,5-8,15H2,1-4H3,(H,12,13)
InChIKeyNASVNAMIIWDPTR-UHFFFAOYSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl silyl pentanoic acid
CID 129689938
5-[Hydroxy(dimethyl)silyl]-2,2,5-trimethylhexanoic acid
CID 90077407
4-Ethyl-2,2-dimethyl-4-trimethylsilylhexanoic acid
CID 123517420
2,2-Dimethyl-5-trimethoxysilylpentanoic acid
CID 140172309
2-Ethoxysilyl-3-methyl-3-propylhexanoic acid
CID 149825330
2-Methoxysilyl-3,5-dimethyl-3-(2-methylpropyl)hexanoic acid
CID 149923401
2-Diethoxysilyl-2-propylhexanoic acid
CID 150337920
2-Methoxysilyl-2,3-di(propan-2-yl)hexanoic acid
CID 150520715
2-(3-Dimethoxysilylpropyl)-2-methylbutanedioic acid
CID 150571970
2-Dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid
CID 150641442
2-Dimethoxysilyl-2-methylhexanoic acid
CID 150961292
2-Dimethoxysilyl-2-propan-2-ylhexanoic acid
CID 151313447

Frequently Asked Questions

What is the IUPAC name of 2-methoxysilyl-3-methyl-3-propylhexanoic acid?
The IUPAC name of 2-methoxysilyl-3-methyl-3-propylhexanoic acid (CID 151163384) is 2-methoxysilyl-3-methyl-3-propylhexanoic acid.
What is the SMILES notation for 2-methoxysilyl-3-methyl-3-propylhexanoic acid?
The canonical SMILES for 2-methoxysilyl-3-methyl-3-propylhexanoic acid is CCCC(C)(CCC)C([SiH2]OC)C(=O)O.
What is the InChIKey of 2-methoxysilyl-3-methyl-3-propylhexanoic acid?
The InChIKey is NASVNAMIIWDPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-5-7-11(3,8-6-2)9(10(12)13)15-14-4/h9H,5-8,15H2,1-4H3,(H,12,13).
What are the key properties of 2-methoxysilyl-3-methyl-3-propylhexanoic acid?
2-methoxysilyl-3-methyl-3-propylhexanoic acid has a molecular weight of 232.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxysilyl-3-methyl-3-propylhexanoic acid is sourced from PubChem (CID 151163384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).