2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid

C12H26O4Si — CID 150641442

IUPAC2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid
SMILESCCCC(CC(C)(C)C)(C(=O)O)[SiH](OC)OC
InChIInChI=1S/C12H26O4Si/c1-7-8-12(10(13)14,9-11(2,3)4)17(15-5)16-6/h17H,7-9H2,1-6H3,(H,13,14)
InChIKeyIZZMCWIZBGVDMF-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.56
Rot. Bonds7

About 2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid

2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid (PubChem CID 150641442) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid.

Molecular Properties

Compound Name2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid
PubChem CID150641442
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid
SMILESCCCC(CC(C)(C)C)(C(=O)O)[SiH](OC)OC
InChIInChI=1S/C12H26O4Si/c1-7-8-12(10(13)14,9-11(2,3)4)17(15-5)16-6/h17H,7-9H2,1-6H3,(H,13,14)
InChIKeyIZZMCWIZBGVDMF-UHFFFAOYSA-N
XLogP2.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid?
The IUPAC name of 2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid (CID 150641442) is 2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid.
What is the SMILES notation for 2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid?
The canonical SMILES for 2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid is CCCC(CC(C)(C)C)(C(=O)O)[SiH](OC)OC.
What is the InChIKey of 2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid?
The InChIKey is IZZMCWIZBGVDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-7-8-12(10(13)14,9-11(2,3)4)17(15-5)16-6/h17H,7-9H2,1-6H3,(H,13,14).
What are the key properties of 2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid?
2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid has a molecular weight of 262.42 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxysilyl-4,4-dimethyl-2-propylpentanoic acid is sourced from PubChem (CID 150641442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).