benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate

C17H29NO4Si — CID 15298956

IUPACbenzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H29NO4Si/c1-17(2,3)23(4,5)22-13-15(11-19)18-16(20)21-12-14-9-7-6-8-10-14/h6-10,15,19H,11-13H2,1-5H3,(H,18,20)/t15-/m1/s1
InChIKeyFQLFJJJFZGROPS-OAHLLOKOSA-N
MW339.51 g/mol
LogP3.30
Rot. Bonds7

About benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate

benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate (PubChem CID 15298956) has the molecular formula C17H29NO4Si and a molecular weight of 339.51 g/mol. Its IUPAC name is benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate
PubChem CID15298956
Molecular FormulaC17H29NO4Si
Molecular Weight339.51 g/mol
Exact Mass339.19
IUPAC Namebenzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H29NO4Si/c1-17(2,3)23(4,5)22-13-15(11-19)18-16(20)21-12-14-9-7-6-8-10-14/h6-10,15,19H,11-13H2,1-5H3,(H,18,20)/t15-/m1/s1
InChIKeyFQLFJJJFZGROPS-OAHLLOKOSA-N
XLogP3.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
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)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate (CID 15298956) is benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate is CC(C)(C)[Si](C)(C)OC[C@@H](CO)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate?
The InChIKey is FQLFJJJFZGROPS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29NO4Si/c1-17(2,3)23(4,5)22-13-15(11-19)18-16(20)21-12-14-9-7-6-8-10-14/h6-10,15,19H,11-13H2,1-5H3,(H,18,20)/t15-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate?
benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate has a molecular weight of 339.51 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 15298956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).