1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C17H33NO4Si — CID 72816176

IUPAC1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC=CC(OC(=O)CNC(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-10-11-14(23(8,9)17(5,6)7)21-13(19)12-18-15(20)22-16(2,3)4/h10-11,14H,12H2,1-9H3,(H,18,20)
InChIKeyWEFQFHCXYUPCEV-UHFFFAOYSA-N
MW343.54 g/mol
LogP4.05
Rot. Bonds5

About 1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 72816176) has the molecular formula C17H33NO4Si and a molecular weight of 343.54 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID72816176
Molecular FormulaC17H33NO4Si
Molecular Weight343.54 g/mol
Exact Mass343.22
IUPAC Name1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC=CC(OC(=O)CNC(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-10-11-14(23(8,9)17(5,6)7)21-13(19)12-18-15(20)22-16(2,3)4/h10-11,14H,12H2,1-9H3,(H,18,20)
InChIKeyWEFQFHCXYUPCEV-UHFFFAOYSA-N
XLogP4.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[tert-butyl(dimethyl)silyl]-3-oxobutan-2-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 24776861
1-chloroethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 160654260
[(E)-but-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 5386709
tert-butyl N-[2-(chloromethyl)-3-fluoroprop-2-enyl]carbamate
CID 153388228
tert-butyl N-(4-chloro-2,3-dimethylidenehex-4-enyl)carbamate
CID 123784488
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
[(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11426223
6-methylheptan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 170788050
tert-butyl N-[3-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]prop-2-enyl]carbamate
CID 89001171
tert-butyl N-[(E,3S)-hex-4-en-3-yl]carbamate
CID 102602622
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
tert-butyl N-[(Z,3R)-hex-4-en-3-yl]carbamate
CID 45091925

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 72816176) is 1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC=CC(OC(=O)CNC(=O)OC(C)(C)C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is WEFQFHCXYUPCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4Si/c1-10-11-14(23(8,9)17(5,6)7)21-13(19)12-18-15(20)22-16(2,3)4/h10-11,14H,12H2,1-9H3,(H,18,20).
What are the key properties of 1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 343.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]but-2-enyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 72816176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).