tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane

C20H36O2Si — CID 11302135

IUPACtert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane
SMILESC#CCCC/C=C(\C)CC[C@@H]1O[C@@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-9-10-11-12-13-17(2)14-15-18-20(6,22-18)16-21-23(7,8)19(3,4)5/h1,13,18H,10-12,14-16H2,2-8H3/b17-13+/t18-,20-/m0/s1
InChIKeyAZXSDAOFBAMZSB-WHYSNAIBSA-N
MW336.59 g/mol
LogP5.70
Rot. Bonds9

About tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane (PubChem CID 11302135) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane
PubChem CID11302135
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Nametert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane
SMILESC#CCCC/C=C(\C)CC[C@@H]1O[C@@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36O2Si/c1-9-10-11-12-13-17(2)14-15-18-20(6,22-18)16-21-23(7,8)19(3,4)5/h1,13,18H,10-12,14-16H2,2-8H3/b17-13+/t18-,20-/m0/s1
InChIKeyAZXSDAOFBAMZSB-WHYSNAIBSA-N
XLogP5.70
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.59
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Tert-butyl-dimethyl-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 10913076
tert-butyl-dimethyl-[[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 11022441
tert-butyl-dimethyl-[[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 100945698
[(5E,9E)-12-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxiran-2-yl]-6,10-dimethyldodeca-5,9-dien-2-yl] acetate
CID 134834148
tert-butyl-dimethyl-[[2-methyl-3-[(E)-3-methylpent-3-enyl]oxiran-2-yl]methoxy]silane
CID 134857523
tert-butyl-dimethyl-[[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 14494226
tert-butyl-[(3E,7E,11E)-14-(3,3-dimethyloxiran-2-yl)-3,8,12-trimethyltetradeca-3,7,11-trienoxy]-dimethylsilane
CID 10502992
tert-butyl-[(E)-8-(3,3-dimethyloxiran-2-yl)-6-methyloct-5-en-2-yl]oxy-dimethylsilane
CID 10520217
[(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane
CID 10612662
[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane
CID 10862849
[(3Z,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane
CID 10884432
[(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane
CID 10929433

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane (CID 11302135) is tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane is C#CCCC/C=C(\C)CC[C@@H]1O[C@@]1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane?
The InChIKey is AZXSDAOFBAMZSB-WHYSNAIBSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-9-10-11-12-13-17(2)14-15-18-20(6,22-18)16-21-23(7,8)19(3,4)5/h1,13,18H,10-12,14-16H2,2-8H3/b17-13+/t18-,20-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane has a molecular weight of 336.59 g/mol, XLogP of 5.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane is sourced from PubChem (CID 11302135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).