tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane

C14H28O2Si — CID 10515259

IUPACtert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane
SMILESCC[C@H]1O[C@]1(C)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-12-14(5,16-12)10-9-11-15-17(6,7)13(2,3)4/h9-10,12H,8,11H2,1-7H3/b10-9+/t12-,14-/m1/s1
InChIKeySDYMSFRBEOKCSI-SNYUGRAUSA-N
MW256.46 g/mol
LogP4.13
Rot. Bonds5

About tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane

tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane (PubChem CID 10515259) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane
PubChem CID10515259
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane
SMILESCC[C@H]1O[C@]1(C)/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-8-12-14(5,16-12)10-9-11-15-17(6,7)13(2,3)4/h9-10,12H,8,11H2,1-7H3/b10-9+/t12-,14-/m1/s1
InChIKeySDYMSFRBEOKCSI-SNYUGRAUSA-N
XLogP4.13
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.13
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

[(E)-2-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]ethenyl]-trimethylsilane
CID 10487752
tert-butyl-[[(2S,3S)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 10824866
Trimethyl(1-oxaspiro[2.5]oct-4-en-2-yl)silane
CID 10856146
(Z)-3-[(2S,3R)-3-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxiran-2-yl]prop-2-en-1-ol
CID 14525993
tert-butyl-[[(2S,3R)-3-ethenyl-2-methyl-2,6-dihydropyran-3-yl]oxy]-dimethylsilane
CID 101083171
tert-butyl-dimethyl-[[(6R)-1-oxaspiro[2.5]oct-4-en-6-yl]oxy]silane
CID 101717142
tert-butyl-dimethyl-[(E)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoxy]silane
CID 134835508
tert-butyl-dimethyl-[(Z)-4-[(2S)-oxiran-2-yl]hex-2-enoxy]silane
CID 134895224
[(2S,5R)-5-but-3-enyl-3,5-dimethyl-2H-furan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134931804
2-[3,3-bis[(E)-prop-1-enyl]oxiran-2-yl]ethynyl-trimethylsilane
CID 134993019
[(1S,4R,5S)-4-ethenyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263636
2,2,4-Trimethyl-3-[2-dimethyl(tert-butyl)silyloxyethyl]-6-ethenyl-5,6-dihydropyrane
CID 554486

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane (CID 10515259) is tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane is CC[C@H]1O[C@]1(C)/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane?
The InChIKey is SDYMSFRBEOKCSI-SNYUGRAUSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-8-12-14(5,16-12)10-9-11-15-17(6,7)13(2,3)4/h9-10,12H,8,11H2,1-7H3/b10-9+/t12-,14-/m1/s1.
What are the key properties of tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane?
tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane has a molecular weight of 256.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-3-[(2R,3R)-3-ethyl-2-methyloxiran-2-yl]prop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 10515259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).