2-dimethoxysilyl-2-propan-2-ylhexanoic acid

C11H24O4Si — CID 151313447

IUPAC2-dimethoxysilyl-2-propan-2-ylhexanoic acid
SMILESCCCCC(C(=O)O)(C(C)C)[SiH](OC)OC
InChIInChI=1S/C11H24O4Si/c1-6-7-8-11(9(2)3,10(12)13)16(14-4)15-5/h9,16H,6-8H2,1-5H3,(H,12,13)
InChIKeyOEXPSKCVTDGYHW-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.17
Rot. Bonds8

About 2-dimethoxysilyl-2-propan-2-ylhexanoic acid

2-dimethoxysilyl-2-propan-2-ylhexanoic acid (PubChem CID 151313447) has the molecular formula C11H24O4Si and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-dimethoxysilyl-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name2-dimethoxysilyl-2-propan-2-ylhexanoic acid
PubChem CID151313447
Molecular FormulaC11H24O4Si
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name2-dimethoxysilyl-2-propan-2-ylhexanoic acid
SMILESCCCCC(C(=O)O)(C(C)C)[SiH](OC)OC
InChIInChI=1S/C11H24O4Si/c1-6-7-8-11(9(2)3,10(12)13)16(14-4)15-5/h9,16H,6-8H2,1-5H3,(H,12,13)
InChIKeyOEXPSKCVTDGYHW-UHFFFAOYSA-N
XLogP2.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.17
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-2-propan-2-ylhexanoic acid?
The IUPAC name of 2-dimethoxysilyl-2-propan-2-ylhexanoic acid (CID 151313447) is 2-dimethoxysilyl-2-propan-2-ylhexanoic acid.
What is the SMILES notation for 2-dimethoxysilyl-2-propan-2-ylhexanoic acid?
The canonical SMILES for 2-dimethoxysilyl-2-propan-2-ylhexanoic acid is CCCCC(C(=O)O)(C(C)C)[SiH](OC)OC.
What is the InChIKey of 2-dimethoxysilyl-2-propan-2-ylhexanoic acid?
The InChIKey is OEXPSKCVTDGYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4Si/c1-6-7-8-11(9(2)3,10(12)13)16(14-4)15-5/h9,16H,6-8H2,1-5H3,(H,12,13).
What are the key properties of 2-dimethoxysilyl-2-propan-2-ylhexanoic acid?
2-dimethoxysilyl-2-propan-2-ylhexanoic acid has a molecular weight of 248.39 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxysilyl-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 151313447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).