[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C19H39NO5Si — CID 86629066

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(CCOC(=O)CNC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39NO5Si/c1-17(2,3)25-16(22)20-13-15(21)23-12-11-19(7,8)14-24-26(9,10)18(4,5)6/h11-14H2,1-10H3,(H,20,22)
InChIKeyULPACMDFIVRREC-UHFFFAOYSA-N
MW389.61 g/mol
LogP4.49
Rot. Bonds8

About [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 86629066) has the molecular formula C19H39NO5Si and a molecular weight of 389.61 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID86629066
Molecular FormulaC19H39NO5Si
Molecular Weight389.61 g/mol
Exact Mass389.26
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCC(C)(CCOC(=O)CNC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H39NO5Si/c1-17(2,3)25-16(22)20-13-15(21)23-12-11-19(7,8)14-24-26(9,10)18(4,5)6/h11-14H2,1-10H3,(H,20,22)
InChIKeyULPACMDFIVRREC-UHFFFAOYSA-N
XLogP4.49
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.61
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(hydrazinecarbonyloxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 135302819
hexadecyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 54136324
2-(2-ethoxyethoxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 156835456
2,2,2-trichloroethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 11113362
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxopropan-2-yl]carbamate
CID 74079206
[(E)-3-trimethylsilylprop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11426223
2-oxoethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 87269499
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
4-nitrooxybutyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 59287782
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 175251945
4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol
CID 10667273
prop-2-ynyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
CID 46702962

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 86629066) is [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is CC(C)(CCOC(=O)CNC(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is ULPACMDFIVRREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO5Si/c1-17(2,3)25-16(22)20-13-15(21)23-12-11-19(7,8)14-24-26(9,10)18(4,5)6/h11-14H2,1-10H3,(H,20,22).
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 389.61 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 86629066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).