(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid

C15H30O4Si — CID 11460855

IUPAC(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid
SMILESCCC(=O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C15H30O4Si/c1-9-12(16)10(2)13(11(3)14(17)18)19-20(7,8)15(4,5)6/h10-11,13H,9H2,1-8H3,(H,17,18)/t10-,11-,13-/m1/s1
InChIKeyGQIXARTTWPXYEX-NQBHXWOUSA-N
MW302.49 g/mol
LogP3.71
Rot. Bonds7

About (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid

(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid (PubChem CID 11460855) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid.

Molecular Properties

Compound Name(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid
PubChem CID11460855
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid
SMILESCCC(=O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O
InChIInChI=1S/C15H30O4Si/c1-9-12(16)10(2)13(11(3)14(17)18)19-20(7,8)15(4,5)6/h10-11,13H,9H2,1-8H3,(H,17,18)/t10-,11-,13-/m1/s1
InChIKeyGQIXARTTWPXYEX-NQBHXWOUSA-N
XLogP3.71
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3s)-3-(Tert-butyl-dimethyl-silanyloxy)-4,4-dimethyl-5-oxo-heptanoic acid
CID 9966179
methyl (2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxohexanoate
CID 10935553
(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-8-hydroxy-2,6-dimethyloctanoic acid
CID 24767664
(3s,4s)-3-[t-Butyl(dimethyl)siloxy]-4-methyldecanoic acid
CID 129748160
(3S)-3-(1-acetylcyclopropyl)-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 134917090
methyl (2R,3S,4S,6S,10S)-11-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4,6,10-tetramethyl-7-oxoundecanoate
CID 134929617
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid
CID 135016301
2-Ethyl-3-hydroxyhexanoic acid, dimethyl(tert-butyl)silyl ester
CID 6421207
3-[Tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-5-oxoheptanoic acid
CID 12080794
(3S,6R,7S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,6,8-tetramethyl-5-oxononanoic acid
CID 12171799
2-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl]acetic acid
CID 21334999
8-{[Tert.butyl(dimethyl)silyl]oxy}-2-hexyl-3-hydroxy-octanoic acid
CID 22033567

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid?
The IUPAC name of (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid (CID 11460855) is (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid.
What is the SMILES notation for (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid?
The canonical SMILES for (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid is CCC(=O)[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)O.
What is the InChIKey of (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid?
The InChIKey is GQIXARTTWPXYEX-NQBHXWOUSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-9-12(16)10(2)13(11(3)14(17)18)19-20(7,8)15(4,5)6/h10-11,13H,9H2,1-8H3,(H,17,18)/t10-,11-,13-/m1/s1.
What are the key properties of (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid?
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid has a molecular weight of 302.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxoheptanoic acid is sourced from PubChem (CID 11460855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).