benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate

C20H33NO4Si — CID 146164140

IUPACbenzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CNC(=O)OCc1ccccc1
InChIInChI=1S/C20H33NO4Si/c1-20(2,3)26(4,5)25-17-12-9-13-23-18(17)14-21-19(22)24-15-16-10-7-6-8-11-16/h6-8,10-11,17-18H,9,12-15H2,1-5H3,(H,21,22)/t17-,18+/m0/s1
InChIKeyONITWWLCDXTROR-ZWKOTPCHSA-N
MW379.57 g/mol
LogP4.48
Rot. Bonds6

About benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate

benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate (PubChem CID 146164140) has the molecular formula C20H33NO4Si and a molecular weight of 379.57 g/mol. Its IUPAC name is benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate
PubChem CID146164140
Molecular FormulaC20H33NO4Si
Molecular Weight379.57 g/mol
Exact Mass379.22
IUPAC Namebenzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CNC(=O)OCc1ccccc1
InChIInChI=1S/C20H33NO4Si/c1-20(2,3)26(4,5)25-17-12-9-13-23-18(17)14-21-19(22)24-15-16-10-7-6-8-11-16/h6-8,10-11,17-18H,9,12-15H2,1-5H3,(H,21,22)/t17-,18+/m0/s1
InChIKeyONITWWLCDXTROR-ZWKOTPCHSA-N
XLogP4.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate (CID 146164140) is benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate?
The InChIKey is ONITWWLCDXTROR-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H33NO4Si/c1-20(2,3)26(4,5)25-17-12-9-13-23-18(17)14-21-19(22)24-15-16-10-7-6-8-11-16/h6-8,10-11,17-18H,9,12-15H2,1-5H3,(H,21,22)/t17-,18+/m0/s1.
What are the key properties of benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate?
benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate has a molecular weight of 379.57 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl]carbamate is sourced from PubChem (CID 146164140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).