2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid

C15H32O3Si — CID 88616456

IUPAC2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid
SMILESCCC(C)CC(O[Si](C)(C)C(C)(C)C(C)C)C(=O)O
InChIInChI=1S/C15H32O3Si/c1-9-12(4)10-13(14(16)17)18-19(7,8)15(5,6)11(2)3/h11-13H,9-10H2,1-8H3,(H,16,17)
InChIKeyVXTANMQOVJLGAE-UHFFFAOYSA-N
MW288.50 g/mol
LogP4.53
Rot. Bonds8

About 2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid

2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid (PubChem CID 88616456) has the molecular formula C15H32O3Si and a molecular weight of 288.50 g/mol. Its IUPAC name is 2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid.

Molecular Properties

Compound Name2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid
PubChem CID88616456
Molecular FormulaC15H32O3Si
Molecular Weight288.50 g/mol
Exact Mass288.21
IUPAC Name2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid
SMILESCCC(C)CC(O[Si](C)(C)C(C)(C)C(C)C)C(=O)O
InChIInChI=1S/C15H32O3Si/c1-9-12(4)10-13(14(16)17)18-19(7,8)15(5,6)11(2)3/h11-13H,9-10H2,1-8H3,(H,16,17)
InChIKeyVXTANMQOVJLGAE-UHFFFAOYSA-N
XLogP4.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[Tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
Ethyldibutylsilyl 4-ethyldibutylsilyloxypentanoate
CID 129778077
2-Hydroxy-3-methylvaleric acid, TBDMS
CID 91752567
2-Hydroxyisocaproic acid, TMS derivative
CID 91696397
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid
CID 16756238
2-[Dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid
CID 19860354
2-[Tert-butyl(dimethyl)silyl]oxyhexanoic acid
CID 21665091
2-[Tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetic acid
CID 22465467
2-Hydroxy-3,4-dimethylhexanoic acid
CID 66289639
2-[Tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid
CID 73323703
2-Hydroxy-3-methyl-5-trimethylsilylpentanoic acid
CID 88077386
(2R,3R,4R)-2-hydroxy-3,4-dimethylhexanoic acid
CID 89396945

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid?
The IUPAC name of 2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid (CID 88616456) is 2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid.
What is the SMILES notation for 2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid?
The canonical SMILES for 2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid is CCC(C)CC(O[Si](C)(C)C(C)(C)C(C)C)C(=O)O.
What is the InChIKey of 2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid?
The InChIKey is VXTANMQOVJLGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3Si/c1-9-12(4)10-13(14(16)17)18-19(7,8)15(5,6)11(2)3/h11-13H,9-10H2,1-8H3,(H,16,17).
What are the key properties of 2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid?
2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid has a molecular weight of 288.50 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-methylhexanoic acid is sourced from PubChem (CID 88616456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).