(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid

C14H30O3Si — CID 89109520

IUPAC(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid
SMILESCC[C@@H](C[C@@H](CC)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-8-11(13(15)16)10-12(9-2)17-18(6,7)14(3,4)5/h11-12H,8-10H2,1-7H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyIQPKPFGEKGIIEO-NEPJUHHUSA-N
MW274.48 g/mol
LogP4.29
Rot. Bonds7

About (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid

(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid (PubChem CID 89109520) has the molecular formula C14H30O3Si and a molecular weight of 274.48 g/mol. Its IUPAC name is (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid.

Molecular Properties

Compound Name(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid
PubChem CID89109520
Molecular FormulaC14H30O3Si
Molecular Weight274.48 g/mol
Exact Mass274.20
IUPAC Name(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid
SMILESCC[C@@H](C[C@@H](CC)C(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O3Si/c1-8-11(13(15)16)10-12(9-2)17-18(6,7)14(3,4)5/h11-12H,8-10H2,1-7H3,(H,15,16)/t11-,12+/m1/s1
InChIKeyIQPKPFGEKGIIEO-NEPJUHHUSA-N
XLogP4.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.48
LogP ≤ 54.29
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

(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid
CID 134892483
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoic acid
CID 135023452
Pentanoic acid, 4-hydroxy-2-propyl, bis-TMS, # 1
CID 526140
2-Ethyl-3-hydroxyhexanoic acid, dimethyl(tert-butyl)silyl ester
CID 6421207
2-(3-Triethoxysilylpropyl)butanedioic acid
CID 11544318
2-[Dimethyl(2-methylpentan-2-yl)silyl]oxy-4-methylhexanoic acid
CID 19860354
2-(3-Trimethoxysilylpropyl)butanedioic acid
CID 19981225
2-(2-Methylpropyl)-3-triethoxysilylbutanedioic acid
CID 22134370
2-[3-[Diethoxy(methyl)silyl]propyl]butanedioic acid
CID 23023196
2-(1-Triethoxysilylpropyl)butanedioic acid
CID 23043479
2-Propyl-3-triethoxysilylbutanedioic acid
CID 23160205
2-[Diethoxy(methyl)silyl]-3-propylbutanedioic acid
CID 23295329

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid?
The IUPAC name of (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid (CID 89109520) is (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid.
What is the SMILES notation for (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid?
The canonical SMILES for (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid is CC[C@@H](C[C@@H](CC)C(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid?
The InChIKey is IQPKPFGEKGIIEO-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H30O3Si/c1-8-11(13(15)16)10-12(9-2)17-18(6,7)14(3,4)5/h11-12H,8-10H2,1-7H3,(H,15,16)/t11-,12+/m1/s1.
What are the key properties of (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid?
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid has a molecular weight of 274.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid is sourced from PubChem (CID 89109520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).