benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate

C24H29NO6Si — CID 10789943

IUPACbenzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](ON1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1
InChIInChI=1S/C24H29NO6Si/c1-24(2,3)32(4,5)30-16-20(23(28)29-15-17-11-7-6-8-12-17)31-25-21(26)18-13-9-10-14-19(18)22(25)27/h6-14,20H,15-16H2,1-5H3/t20-/m1/s1
InChIKeyFFJQDOMFPNXXTF-HXUWFJFHSA-N
MW455.58 g/mol
LogP4.35
Rot. Bonds8

About benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate

benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate (PubChem CID 10789943) has the molecular formula C24H29NO6Si and a molecular weight of 455.58 g/mol. Its IUPAC name is benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate.

Molecular Properties

Compound Namebenzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
PubChem CID10789943
Molecular FormulaC24H29NO6Si
Molecular Weight455.58 g/mol
Exact Mass455.18
IUPAC Namebenzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](ON1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1
InChIInChI=1S/C24H29NO6Si/c1-24(2,3)32(4,5)30-16-20(23(28)29-15-17-11-7-6-8-12-17)31-25-21(26)18-13-9-10-14-19(18)22(25)27/h6-14,20H,15-16H2,1-5H3/t20-/m1/s1
InChIKeyFFJQDOMFPNXXTF-HXUWFJFHSA-N
XLogP4.35
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione
CID 140883343
benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
CID 10592122
2-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]isoindole-1,3-dione
CID 101060892
benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)-2-methylbutanoate
CID 67694959
benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate
CID 134877613
benzyl (2S)-2-(1,3-dioxoisoindol-2-yl)-6-hydroxy-6-methylheptanoate
CID 10763243
benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]carbamate
CID 174054099
benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate
CID 46179798
1-O-benzyl 4-O-tert-butyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 10786824
benzyl N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-(4-chlorophenyl)ethyl]carbamate
CID 150347845
[(2R,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)pentan-3-yl] benzoate
CID 42646421
(2R)-2-benzyl-3-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 129403826

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate?
The IUPAC name of benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate (CID 10789943) is benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate.
What is the SMILES notation for benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate?
The canonical SMILES for benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate is CC(C)(C)[Si](C)(C)OC[C@@H](ON1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate?
The InChIKey is FFJQDOMFPNXXTF-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29NO6Si/c1-24(2,3)32(4,5)30-16-20(23(28)29-15-17-11-7-6-8-12-17)31-25-21(26)18-13-9-10-14-19(18)22(25)27/h6-14,20H,15-16H2,1-5H3/t20-/m1/s1.
What are the key properties of benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate?
benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate has a molecular weight of 455.58 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate is sourced from PubChem (CID 10789943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).