(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid

C16H26O3Si — CID 129403826

IUPAC(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-12-14(15(17)18)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3,(H,17,18)/t14-/m1/s1
InChIKeyAUZJAVVSHOXMQM-CQSZACIVSA-N
MW294.47 g/mol
LogP3.95
Rot. Bonds6

About (2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid

(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid (PubChem CID 129403826) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is (2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
PubChem CID129403826
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-12-14(15(17)18)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3,(H,17,18)/t14-/m1/s1
InChIKeyAUZJAVVSHOXMQM-CQSZACIVSA-N
XLogP3.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.95
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

tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]carbamate
CID 11314550
benzhydryl (2S)-2-bromo-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 153349520
(2-azido-3-phenylpropoxy)-tert-butyl-dimethylsilane
CID 151887503
[(2S)-2-azido-3-phenylpropoxy]-tert-butyl-dimethylsilane
CID 154709006
2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
CID 25213691
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
(2S)-2-benzyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 11482453
2-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropan-2-yl]oxyacetic acid
CID 19350803
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
(2R)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbutanamide
CID 10503965
[(E,2R)-5-benzyl-6-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylhex-3-en-2-yl]carbamic acid
CID 142626458

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid?
The IUPAC name of (2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid (CID 129403826) is (2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid.
What is the SMILES notation for (2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid?
The canonical SMILES for (2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid is CC(C)(C)[Si](C)(C)OC[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid?
The InChIKey is AUZJAVVSHOXMQM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-12-14(15(17)18)11-13-9-7-6-8-10-13/h6-10,14H,11-12H2,1-5H3,(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid?
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid has a molecular weight of 294.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid is sourced from PubChem (CID 129403826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).