tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane

C21H40O3Si — CID 11810732

IUPACtert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@](C)(O[Si](C)(C)C(C)(C)C)[C@@]1([C@@H](C)C/C=C/C(C)(C)OC)CO1
InChIInChI=1S/C21H40O3Si/c1-12-20(8,24-25(10,11)18(3,4)5)21(16-23-21)17(2)14-13-15-19(6,7)22-9/h12-13,15,17H,1,14,16H2,2-11H3/b15-13+/t17-,20-,21-/m0/s1
InChIKeyMOKNVVIAXXLFES-SXMJTNQVSA-N
MW368.63 g/mol
LogP5.73
Rot. Bonds9

About tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane (PubChem CID 11810732) has the molecular formula C21H40O3Si and a molecular weight of 368.63 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane
PubChem CID11810732
Molecular FormulaC21H40O3Si
Molecular Weight368.63 g/mol
Exact Mass368.27
IUPAC Nametert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@](C)(O[Si](C)(C)C(C)(C)C)[C@@]1([C@@H](C)C/C=C/C(C)(C)OC)CO1
InChIInChI=1S/C21H40O3Si/c1-12-20(8,24-25(10,11)18(3,4)5)21(16-23-21)17(2)14-13-15-19(6,7)22-9/h12-13,15,17H,1,14,16H2,2-11H3/b15-13+/t17-,20-,21-/m0/s1
InChIKeyMOKNVVIAXXLFES-SXMJTNQVSA-N
XLogP5.73
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.63
LogP ≤ 55.73
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane
CID 140564405
tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane
CID 161097710
tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane
CID 162082005
tert-butyl-[[(3R,4R,5S)-5-methoxy-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]oct-6-en-6-yl]oxy]-dimethylsilane
CID 173798441
(8-But-3-enyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy-trimethylsilane
CID 10060795
tributyl-[[(3R,6S)-1-oxaspiro[2.4]hept-4-en-6-yl]oxy]silane
CID 11758727
tert-butyl-[(E)-5-[(1S,2R)-2-ethenyl-1-methoxycyclopent-3-en-1-yl]pent-4-enoxy]-dimethylsilane
CID 101079232
tert-butyl-[(E)-5-[(1R,5S)-5-ethenyl-5-methoxycyclopent-2-en-1-yl]pent-4-enoxy]-dimethylsilane
CID 101079233

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane (CID 11810732) is tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane is C=C[C@](C)(O[Si](C)(C)C(C)(C)C)[C@@]1([C@@H](C)C/C=C/C(C)(C)OC)CO1.
What is the InChIKey of tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane?
The InChIKey is MOKNVVIAXXLFES-SXMJTNQVSA-N. The full InChI is InChI=1S/C21H40O3Si/c1-12-20(8,24-25(10,11)18(3,4)5)21(16-23-21)17(2)14-13-15-19(6,7)22-9/h12-13,15,17H,1,14,16H2,2-11H3/b15-13+/t17-,20-,21-/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane has a molecular weight of 368.63 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11810732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).