tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane

C13H26O2Si — CID 11564984

IUPACtert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
SMILESC=CC[C@@H](C[C@@H]1CO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-8-11(9-12-10-14-12)15-16(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m0/s1
InChIKeyODPNBZUXELPFKT-NWDGAFQWSA-N
MW242.43 g/mol
LogP3.74
Rot. Bonds6

About tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane (PubChem CID 11564984) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
PubChem CID11564984
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
SMILESC=CC[C@@H](C[C@@H]1CO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-7-8-11(9-12-10-14-12)15-16(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m0/s1
InChIKeyODPNBZUXELPFKT-NWDGAFQWSA-N
XLogP3.74
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.74
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

tert-butyl-dimethyl-[(2S)-1-[(2S)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 10332001
tert-butyl-dimethyl-[(2R)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 10705360
tert-butyl-dimethyl-[(2R)-4-methylidene-1-[(2S)-oxiran-2-yl]hexan-2-yl]oxysilane
CID 11254249
tert-butyl-dimethyl-[(2R)-1-[(2S)-oxiran-2-yl]pent-4-en-2-yl]oxysilane
CID 13895986
trimethyl-[2-[[(2R)-1-[(2S)-oxiran-2-yl]pent-4-en-2-yl]oxymethoxy]ethyl]silane
CID 13969334
tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane
CID 72948039
trimethyl-[2-[[(2R)-1-(oxiran-2-yl)pent-4-en-2-yl]oxymethoxy]ethyl]silane
CID 134894371
tert-butyl-dimethyl-[(1S)-1-[(2S)-oxiran-2-yl]but-3-enoxy]silane
CID 134963399
tert-butyl-[(2R)-1-[(2S,3S)-3-ethenyloxiran-2-yl]propan-2-yl]oxy-dimethylsilane
CID 10514330
Hydroxy-dimethyl-(1-pent-4-en-2-yloxyhexyl)silane
CID 10705491
tert-butyl-[3-[(2S,3R)-3-ethenyloxiran-2-yl]propoxy]-dimethylsilane
CID 11064587
tert-butyl-dimethyl-[(2S)-2-[(2S)-oxiran-2-yl]but-3-enoxy]silane
CID 11148901

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane (CID 11564984) is tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane is C=CC[C@@H](C[C@@H]1CO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane?
The InChIKey is ODPNBZUXELPFKT-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-7-8-11(9-12-10-14-12)15-16(5,6)13(2,3)4/h7,11-12H,1,8-10H2,2-6H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane has a molecular weight of 242.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-1-[(2R)-oxiran-2-yl]pent-4-en-2-yl]oxysilane is sourced from PubChem (CID 11564984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).