(3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid

C17H36O3Si — CID 58901321

IUPAC(3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid
SMILESCC(C)[C@@H](C)[C@H](CC(=O)O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36O3Si/c1-11(2)15(9)16(10-17(18)19)20-21(12(3)4,13(5)6)14(7)8/h11-16H,10H2,1-9H3,(H,18,19)/t15-,16+/m1/s1
InChIKeyYBEJLOWYTYQZDG-CVEARBPZSA-N
MW316.56 g/mol
LogP5.31
Rot. Bonds9

About (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid

(3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid (PubChem CID 58901321) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid.

Molecular Properties

Compound Name(3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid
PubChem CID58901321
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name(3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid
SMILESCC(C)[C@@H](C)[C@H](CC(=O)O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H36O3Si/c1-11(2)15(9)16(10-17(18)19)20-21(12(3)4,13(5)6)14(7)8/h11-16H,10H2,1-9H3,(H,18,19)/t15-,16+/m1/s1
InChIKeyYBEJLOWYTYQZDG-CVEARBPZSA-N
XLogP5.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.56
LogP ≤ 55.31
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

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
(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
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyldecanoic acid
CID 135016301
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoic acid
CID 135023452
2-Ethyl-3-hydroxyhexanoic acid, dimethyl(tert-butyl)silyl ester
CID 6421207
Methyl (2R,3R,4S)-3-(tert-butyldimethylsilyloxy)-2,4-dimethylhexanoate
CID 134744518
8-{[Tert.butyl(dimethyl)silyl]oxy}-2-hexyl-3-hydroxy-octanoic acid
CID 22033567
2-[Tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid
CID 22636916
(2S)-2-[(3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoyl]oxy-3-methylbutanoic acid
CID 58901295
3-[Tert-butyl(dimethyl)silyl]oxy-3-cyclopropylpropanoic acid
CID 68414004
cis-(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylic acid
CID 69216099

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid?
The IUPAC name of (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid (CID 58901321) is (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid.
What is the SMILES notation for (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid?
The canonical SMILES for (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid is CC(C)[C@@H](C)[C@H](CC(=O)O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid?
The InChIKey is YBEJLOWYTYQZDG-CVEARBPZSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-11(2)15(9)16(10-17(18)19)20-21(12(3)4,13(5)6)14(7)8/h11-16H,10H2,1-9H3,(H,18,19)/t15-,16+/m1/s1.
What are the key properties of (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid?
(3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid has a molecular weight of 316.56 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4,5-dimethyl-3-tri(propan-2-yl)silyloxyhexanoic acid is sourced from PubChem (CID 58901321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).