[(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane

C11H22O2Si — CID 10954921

IUPAC[(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane
SMILESCO[C@@H](C[C@@H]1CO1)/C(C)=C/[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-9(8-14(3,4)5)11(12-2)6-10-7-13-10/h8,10-11H,6-7H2,1-5H3/b9-8+/t10-,11+/m1/s1
InChIKeyVJTBWJHVIYXCBL-OJLMFNQTSA-N
MW214.38 g/mol
LogP2.61
Rot. Bonds5

About [(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane

[(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane (PubChem CID 10954921) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is [(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane
PubChem CID10954921
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name[(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane
SMILESCO[C@@H](C[C@@H]1CO1)/C(C)=C/[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-9(8-14(3,4)5)11(12-2)6-10-7-13-10/h8,10-11H,6-7H2,1-5H3/b9-8+/t10-,11+/m1/s1
InChIKeyVJTBWJHVIYXCBL-OJLMFNQTSA-N
XLogP2.61
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane
CID 10514330
Tert-butyl-dimethyl-[3-(oxiran-2-yl)but-3-enoxy]silane
CID 24775688

Frequently Asked Questions

What is the IUPAC name of [(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane?
The IUPAC name of [(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane (CID 10954921) is [(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane.
What is the SMILES notation for [(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane?
The canonical SMILES for [(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane is CO[C@@H](C[C@@H]1CO1)/C(C)=C/[Si](C)(C)C.
What is the InChIKey of [(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane?
The InChIKey is VJTBWJHVIYXCBL-OJLMFNQTSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-9(8-14(3,4)5)11(12-2)6-10-7-13-10/h8,10-11H,6-7H2,1-5H3/b9-8+/t10-,11+/m1/s1.
What are the key properties of [(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane?
[(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane has a molecular weight of 214.38 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,3S)-3-methoxy-2-methyl-4-[(2R)-oxiran-2-yl]but-1-enyl]-trimethylsilane is sourced from PubChem (CID 10954921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).