tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate

C20H39NO3Si — CID 134842894

IUPACtert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
SMILESC=CC[C@H]([C@H](C)O[Si](C)(C)C(C)(C)C)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H39NO3Si/c1-12-14-17(16(3)24-25(10,11)20(7,8)9)21(15-13-2)18(22)23-19(4,5)6/h12-13,16-17H,1-2,14-15H2,3-11H3/t16-,17+/m0/s1
InChIKeyANRLWGBWJHINEQ-DLBZAZTESA-N
MW369.62 g/mol
LogP5.76
Rot. Bonds8

About tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate

tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate (PubChem CID 134842894) has the molecular formula C20H39NO3Si and a molecular weight of 369.62 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
PubChem CID134842894
Molecular FormulaC20H39NO3Si
Molecular Weight369.62 g/mol
Exact Mass369.27
IUPAC Nametert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
SMILESC=CC[C@H]([C@H](C)O[Si](C)(C)C(C)(C)C)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C20H39NO3Si/c1-12-14-17(16(3)24-25(10,11)20(7,8)9)21(15-13-2)18(22)23-19(4,5)6/h12-13,16-17H,1-2,14-15H2,3-11H3/t16-,17+/m0/s1
InChIKeyANRLWGBWJHINEQ-DLBZAZTESA-N
XLogP5.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.62
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate (CID 134842894) is tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate is C=CC[C@H]([C@H](C)O[Si](C)(C)C(C)(C)C)N(CC=C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate?
The InChIKey is ANRLWGBWJHINEQ-DLBZAZTESA-N. The full InChI is InChI=1S/C20H39NO3Si/c1-12-14-17(16(3)24-25(10,11)20(7,8)9)21(15-13-2)18(22)23-19(4,5)6/h12-13,16-17H,1-2,14-15H2,3-11H3/t16-,17+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate?
tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate has a molecular weight of 369.62 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 134842894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).