trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane

C14H28O3Si — CID 23240817

IUPACtrimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane
SMILESC=C[C@H](C)[C@H](OCOCC[Si](C)(C)C)[C@@]1(C)CO1
InChIInChI=1S/C14H28O3Si/c1-7-12(2)13(14(3)10-17-14)16-11-15-8-9-18(4,5)6/h7,12-13H,1,8-11H2,2-6H3/t12-,13-,14+/m0/s1
InChIKeyLHBQHCAIMMCZOT-MELADBBJSA-N
MW272.46 g/mol
LogP3.29
Rot. Bonds9

About trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane

trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane (PubChem CID 23240817) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane
PubChem CID23240817
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Nametrimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane
SMILESC=C[C@H](C)[C@H](OCOCC[Si](C)(C)C)[C@@]1(C)CO1
InChIInChI=1S/C14H28O3Si/c1-7-12(2)13(14(3)10-17-14)16-11-15-8-9-18(4,5)6/h7,12-13H,1,8-11H2,2-6H3/t12-,13-,14+/m0/s1
InChIKeyLHBQHCAIMMCZOT-MELADBBJSA-N
XLogP3.29
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane with MolForge

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Related Compounds

tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane
CID 15981704
(2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol
CID 23240821
tert-butyl-[(1R,2R)-1-(methoxymethoxy)-1-[(2R)-oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane
CID 71819357

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane (CID 23240817) is trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane is C=C[C@H](C)[C@H](OCOCC[Si](C)(C)C)[C@@]1(C)CO1.
What is the InChIKey of trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane?
The InChIKey is LHBQHCAIMMCZOT-MELADBBJSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-7-12(2)13(14(3)10-17-14)16-11-15-8-9-18(4,5)6/h7,12-13H,1,8-11H2,2-6H3/t12-,13-,14+/m0/s1.
What are the key properties of trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane?
trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane has a molecular weight of 272.46 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane is sourced from PubChem (CID 23240817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).