2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid

C13H28O3Si — CID 150520715

IUPAC2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid
SMILESCCCC(C(C)C)C([SiH2]OC)(C(=O)O)C(C)C
InChIInChI=1S/C13H28O3Si/c1-7-8-11(9(2)3)13(10(4)5,12(14)15)17-16-6/h9-11H,7-8,17H2,1-6H3,(H,14,15)
InChIKeyIBTUIAJGPQVWOQ-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.69
Rot. Bonds8

About 2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid

2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid (PubChem CID 150520715) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is 2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid.

Molecular Properties

Compound Name2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid
PubChem CID150520715
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid
SMILESCCCC(C(C)C)C([SiH2]OC)(C(=O)O)C(C)C
InChIInChI=1S/C13H28O3Si/c1-7-8-11(9(2)3)13(10(4)5,12(14)15)17-16-6/h9-11H,7-8,17H2,1-6H3,(H,14,15)
InChIKeyIBTUIAJGPQVWOQ-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid?
The IUPAC name of 2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid (CID 150520715) is 2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid.
What is the SMILES notation for 2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid?
The canonical SMILES for 2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid is CCCC(C(C)C)C([SiH2]OC)(C(=O)O)C(C)C.
What is the InChIKey of 2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid?
The InChIKey is IBTUIAJGPQVWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-7-8-11(9(2)3)13(10(4)5,12(14)15)17-16-6/h9-11H,7-8,17H2,1-6H3,(H,14,15).
What are the key properties of 2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid?
2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid has a molecular weight of 260.45 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxysilyl-2,3-di(propan-2-yl)hexanoic acid is sourced from PubChem (CID 150520715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).