2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid

C15H32O3Si — CID 19860354

IUPAC2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid
SMILESCCCC(C)(C)[Si](C)(C)OC(CC(C)CC)C(=O)O
InChIInChI=1S/C15H32O3Si/c1-8-10-15(4,5)19(6,7)18-13(14(16)17)11-12(3)9-2/h12-13H,8-11H2,1-7H3,(H,16,17)
InChIKeyOZSBFQJJHLIWBM-UHFFFAOYSA-N
MW288.50 g/mol
LogP4.68
Rot. Bonds9

About 2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid

2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid (PubChem CID 19860354) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is 2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid.

Molecular Properties

Compound Name2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid
PubChem CID19860354
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid
SMILESCCCC(C)(C)[Si](C)(C)OC(CC(C)CC)C(=O)O
InChIInChI=1S/C15H32O3Si/c1-8-10-15(4,5)19(6,7)18-13(14(16)17)11-12(3)9-2/h12-13H,8-11H2,1-7H3,(H,16,17)
InChIKeyOZSBFQJJHLIWBM-UHFFFAOYSA-N
XLogP4.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.68
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-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid?
The IUPAC name of 2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid (CID 19860354) is 2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid.
What is the SMILES notation for 2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid?
The canonical SMILES for 2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid is CCCC(C)(C)[Si](C)(C)OC(CC(C)CC)C(=O)O.
What is the InChIKey of 2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid?
The InChIKey is OZSBFQJJHLIWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-8-10-15(4,5)19(6,7)18-13(14(16)17)11-12(3)9-2/h12-13H,8-11H2,1-7H3,(H,16,17).
What are the key properties of 2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid?
2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid has a molecular weight of 288.50 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid is sourced from PubChem (CID 19860354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).