trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane

C12H24O2Si — CID 10944221

IUPACtrimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane
SMILESC/C=C/[C@H](C)[C@@H](O[Si](C)(C)C)[C@]1(C)CO1
InChIInChI=1S/C12H24O2Si/c1-7-8-10(2)11(12(3)9-13-12)14-15(4,5)6/h7-8,10-11H,9H2,1-6H3/b8-7+/t10-,11+,12-/m0/s1
InChIKeyKTRXUFMXPFEKSM-QHEIKKENSA-N
MW228.41 g/mol
LogP3.21
Rot. Bonds5

About trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane

trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane (PubChem CID 10944221) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane
PubChem CID10944221
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametrimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane
SMILESC/C=C/[C@H](C)[C@@H](O[Si](C)(C)C)[C@]1(C)CO1
InChIInChI=1S/C12H24O2Si/c1-7-8-10(2)11(12(3)9-13-12)14-15(4,5)6/h7-8,10-11H,9H2,1-6H3/b8-7+/t10-,11+,12-/m0/s1
InChIKeyKTRXUFMXPFEKSM-QHEIKKENSA-N
XLogP3.21
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Trimethyl-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 13074681
[3-[(3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968658
tert-butyl-dimethyl-[(1S,3Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hepta-3,6-dienoxy]silane
CID 138968662
[(2S,3S)-3-[(1S,3Z,6Z)-1,9-bis[[tert-butyl(dimethyl)silyl]oxy]nona-3,6-dienyl]oxiran-2-yl]-trimethylsilane
CID 138968876
tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E,2S)-4-tributylstannylbut-3-en-2-yl]oxiran-2-yl]methoxy]silane
CID 138969960
Tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane
CID 90685404
triethyl-[(E,1R)-1-[(2R)-2-(2-methylprop-2-enyl)oxiran-2-yl]but-2-enoxy]silane
CID 140564405
2-(Methoxymethyl)-3-pent-3-en-2-yloxirane
CID 150204912
tert-butyl-dimethyl-[[(2R,3S)-3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]methoxy]silane
CID 11702102
[(2S,3S)-3-[(Z,1S)-1,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-3-enyl]oxiran-2-yl]-trimethylsilane
CID 132938700

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane?
The IUPAC name of trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane (CID 10944221) is trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane.
What is the SMILES notation for trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane?
The canonical SMILES for trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane is C/C=C/[C@H](C)[C@@H](O[Si](C)(C)C)[C@]1(C)CO1.
What is the InChIKey of trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane?
The InChIKey is KTRXUFMXPFEKSM-QHEIKKENSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-7-8-10(2)11(12(3)9-13-12)14-15(4,5)6/h7-8,10-11H,9H2,1-6H3/b8-7+/t10-,11+,12-/m0/s1.
What are the key properties of trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane?
trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane has a molecular weight of 228.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E,1R,2S)-2-methyl-1-[(2S)-2-methyloxiran-2-yl]pent-3-enoxy]silane is sourced from PubChem (CID 10944221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).