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

C17H35NO3Si — CID 134950159

IUPACtert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]carbamate
SMILESC=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35NO3Si/c1-11-12-14(18-15(19)20-16(3,4)5)13(2)21-22(9,10)17(6,7)8/h11,13-14H,1,12H2,2-10H3,(H,18,19)/t13-,14+/m0/s1
InChIKeyBALSCPZRHMJYNN-UONOGXRCSA-N
MW329.56 g/mol
LogP4.87
Rot. Bonds6

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

tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]carbamate (PubChem CID 134950159) has the molecular formula C17H35NO3Si and a molecular weight of 329.56 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]carbamate
PubChem CID134950159
Molecular FormulaC17H35NO3Si
Molecular Weight329.56 g/mol
Exact Mass329.24
IUPAC Nametert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]carbamate
SMILESC=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35NO3Si/c1-11-12-14(18-15(19)20-16(3,4)5)13(2)21-22(9,10)17(6,7)8/h11,13-14H,1,12H2,2-10H3,(H,18,19)/t13-,14+/m0/s1
InChIKeyBALSCPZRHMJYNN-UONOGXRCSA-N
XLogP4.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
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]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]carbamate (CID 134950159) is tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]carbamate is C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]carbamate?
The InChIKey is BALSCPZRHMJYNN-UONOGXRCSA-N. The full InChI is InChI=1S/C17H35NO3Si/c1-11-12-14(18-15(19)20-16(3,4)5)13(2)21-22(9,10)17(6,7)8/h11,13-14H,1,12H2,2-10H3,(H,18,19)/t13-,14+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]carbamate?
tert-butyl N-[(2S,3R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-en-3-yl]carbamate has a molecular weight of 329.56 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 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]carbamate is sourced from PubChem (CID 134950159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).