[(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane

C15H31N3OSi — CID 46218527

IUPAC[(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane
SMILESC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](N=[N+]=[N-])C(C)C
InChIInChI=1S/C15H31N3OSi/c1-9-13(14(12(2)3)17-18-16)10-11-19-20(7,8)15(4,5)6/h9,12-14H,1,10-11H2,2-8H3/t13-,14-/m0/s1
InChIKeySVGVNTMKNADIKT-KBPBESRZSA-N
MW297.52 g/mol
LogP5.54
Rot. Bonds8

About [(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane

[(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane (PubChem CID 46218527) has the molecular formula C15H31N3OSi and a molecular weight of 297.52 g/mol. Its IUPAC name is [(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane
PubChem CID46218527
Molecular FormulaC15H31N3OSi
Molecular Weight297.52 g/mol
Exact Mass297.22
IUPAC Name[(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane
SMILESC=C[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](N=[N+]=[N-])C(C)C
InChIInChI=1S/C15H31N3OSi/c1-9-13(14(12(2)3)17-18-16)10-11-19-20(7,8)15(4,5)6/h9,12-14H,1,10-11H2,2-8H3/t13-,14-/m0/s1
InChIKeySVGVNTMKNADIKT-KBPBESRZSA-N
XLogP5.54
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.52
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-amine
CID 125493831
(3S,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 11425088
tert-butyl-[(2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dimethylpentoxy]-dimethylsilane
CID 66552565
tert-butyl-[(2S,3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-3,4-dimethylhept-6-enoxy]-dimethylsilane
CID 11102001
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-amine
CID 121015221
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
[(2S,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-en-2-yl] methanesulfonate
CID 145359169
(E,4R,5S)-8-[tert-butyl(dimethyl)silyl]oxy-5-ethenyloct-2-en-4-ol
CID 23253498
(2R,4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]hex-5-ene-2-sulfonamide
CID 145359416
[(3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-yl] prop-2-enoate
CID 16726241

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane (CID 46218527) is [(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane is C=C[C@@H](CCO[Si](C)(C)C(C)(C)C)[C@@H](N=[N+]=[N-])C(C)C.
What is the InChIKey of [(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane?
The InChIKey is SVGVNTMKNADIKT-KBPBESRZSA-N. The full InChI is InChI=1S/C15H31N3OSi/c1-9-13(14(12(2)3)17-18-16)10-11-19-20(7,8)15(4,5)6/h9,12-14H,1,10-11H2,2-8H3/t13-,14-/m0/s1.
What are the key properties of [(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane?
[(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane has a molecular weight of 297.52 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-azido-3-ethenyl-5-methylhexoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 46218527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).