tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate

C15H31NO4Si — CID 74079206

IUPACtert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
SMILESCC(C=O)(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO4Si/c1-13(2,3)20-12(18)16-15(7,10-17)11-19-21(8,9)14(4,5)6/h10H,11H2,1-9H3,(H,16,18)
InChIKeyXKAURNAJCMIZPT-UHFFFAOYSA-N
MW317.50 g/mol
LogP3.49
Rot. Bonds5

About tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate

tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate (PubChem CID 74079206) has the molecular formula C15H31NO4Si and a molecular weight of 317.50 g/mol. Its IUPAC name is tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
PubChem CID74079206
Molecular FormulaC15H31NO4Si
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC Nametert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
SMILESCC(C=O)(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO4Si/c1-13(2,3)20-12(18)16-15(7,10-17)11-19-21(8,9)14(4,5)6/h10H,11H2,1-9H3,(H,16,18)
InChIKeyXKAURNAJCMIZPT-UHFFFAOYSA-N
XLogP3.49
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 11438124
alpha-Aminoisobutyric acid, N-isoBOC TBDMS
CID 6429980
1,1-Dimethylethyl ((1S)-2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}-1-formylethyl)carbamate
CID 11197449
[1-(Tert-butyldimethylsilanyloxymethyl)-2-oxoethyl]carbamic acid tert-butyl ester
CID 15936514
tert-butyl N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
CID 23651314
2-(Tert-butoxycarbonylamino)-3-(tert-butyldimethylsilyloxy)-2-methylpropanoic acid
CID 86674097
Boc-aMeSer(TBDMS)(TBDMS)-OH
CID 89238642
CID 143985332
CID 143985332
methyl (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-deuterio-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 153627776
tert-butyl N-[(2R)-1-methoxy-2-methyl-3-oxopropan-2-yl]carbamate
CID 170585055
[1-[Tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamic acid
CID 173868943
Boc-DL-aMeSer(TBDMS)-OMe
CID 173868959

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate (CID 74079206) is tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate is CC(C=O)(CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate?
The InChIKey is XKAURNAJCMIZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4Si/c1-13(2,3)20-12(18)16-15(7,10-17)11-19-21(8,9)14(4,5)6/h10H,11H2,1-9H3,(H,16,18).
What are the key properties of tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate has a molecular weight of 317.50 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate is sourced from PubChem (CID 74079206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).