2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid

C16H34O3Si — CID 76530796

IUPAC2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid
SMILESCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(C)C(=O)O
InChIInChI=1S/C16H34O3Si/c1-9-10-15(14(8)16(17)18)19-20(11(2)3,12(4)5)13(6)7/h11-15H,9-10H2,1-8H3,(H,17,18)
InChIKeyKFJKCUDXFFMLKI-UHFFFAOYSA-N
MW302.53 g/mol
LogP5.07
Rot. Bonds9

About 2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid

2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid (PubChem CID 76530796) has the molecular formula C16H34O3Si and a molecular weight of 302.53 g/mol. Its IUPAC name is 2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid.

Molecular Properties

Compound Name2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid
PubChem CID76530796
Molecular FormulaC16H34O3Si
Molecular Weight302.53 g/mol
Exact Mass302.23
IUPAC Name2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid
SMILESCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(C)C(=O)O
InChIInChI=1S/C16H34O3Si/c1-9-10-15(14(8)16(17)18)19-20(11(2)3,12(4)5)13(6)7/h11-15H,9-10H2,1-8H3,(H,17,18)
InChIKeyKFJKCUDXFFMLKI-UHFFFAOYSA-N
XLogP5.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilyl-3-trimethylsilyloxyhexanoic acid
CID 22211916
(2S,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134930905
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid
CID 57318038
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
(2R,3S,4R)-3-acetamido-4-acetyloxy-2-methylheptanoic acid
CID 11414258
(3R)-4-ethoxy-2,3-dimethyl-4-oxobutanoic acid
CID 150582435
(2S)-3-(aminomethyl)-2-methylhexanoic acid
CID 54232273
(2S,3S,5S)-2-hexyl-3-hydroxy-5-tri(propan-2-yl)silyloxyhexadecanoic acid
CID 25140052
CID 159174397
CID 159174397
2-methyl-3-[methyl(pentan-2-yl)amino]butanoic acid
CID 79407225
2-methyl-3-methylsilyloxypentanoic acid
CID 123144884

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid?
The IUPAC name of 2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid (CID 76530796) is 2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid.
What is the SMILES notation for 2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid?
The canonical SMILES for 2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid is CCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid?
The InChIKey is KFJKCUDXFFMLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si/c1-9-10-15(14(8)16(17)18)19-20(11(2)3,12(4)5)13(6)7/h11-15H,9-10H2,1-8H3,(H,17,18).
What are the key properties of 2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid?
2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid has a molecular weight of 302.53 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid is sourced from PubChem (CID 76530796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).