tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate

C14H31NO4Si — CID 140880873

IUPACtert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31NO4Si/c1-13(2,3)18-12(17)15-9-11(10-16)19-20(7,8)14(4,5)6/h11,16H,9-10H2,1-8H3,(H,15,17)/t11-/m1/s1
InChIKeyVFDHDMONRHQELN-LLVKDONJSA-N
MW305.49 g/mol
LogP2.89
Rot. Bonds5

About tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate

tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate (PubChem CID 140880873) has the molecular formula C14H31NO4Si and a molecular weight of 305.49 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
PubChem CID140880873
Molecular FormulaC14H31NO4Si
Molecular Weight305.49 g/mol
Exact Mass305.20
IUPAC Nametert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H31NO4Si/c1-13(2,3)18-12(17)15-9-11(10-16)19-20(7,8)14(4,5)6/h11,16H,9-10H2,1-8H3,(H,15,17)/t11-/m1/s1
InChIKeyVFDHDMONRHQELN-LLVKDONJSA-N
XLogP2.89
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate
CID 140880863
[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
CID 140880816
2,2,2-trichloroethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 11113362
tert-butyl N-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydrazinyl-3-oxopropyl]carbamate
CID 153328579
tert-butyl N-[(2S)-3-[[(E)-3-amino-2-bromoprop-2-enylidene]amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
CID 155642130
tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
CID 68628541
benzyl N-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]-N-(phenylmethoxycarbonylamino)carbamate
CID 135024237
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-4-ylethyl]carbamate
CID 175783177
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638
tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate
CID 87486747
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 156749640
benzyl N-[2-[tert-butyl(dimethyl)silyl]oxybutyl]carbamate;benzyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate;benzyl N-(2,3-dihydroxypropyl)carbamate
CID 123229566

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate (CID 140880873) is tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate is CC(C)(C)OC(=O)NC[C@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate?
The InChIKey is VFDHDMONRHQELN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H31NO4Si/c1-13(2,3)18-12(17)15-9-11(10-16)19-20(7,8)14(4,5)6/h11,16H,9-10H2,1-8H3,(H,15,17)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate?
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate has a molecular weight of 305.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]carbamate is sourced from PubChem (CID 140880873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).