tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane

C25H56O3Si2 — CID 162119398

IUPACtert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane
SMILESC.C=CCCCCO[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCCCC[C@H]1CO1
InChIInChI=1S/C12H26O2Si.C12H26OSi.CH4/c1-12(2,3)15(4,5)14-9-7-6-8-11-10-13-11;1-7-8-9-10-11-13-14(5,6)12(2,3)4;/h11H,6-10H2,1-5H3;7H,1,8-11H2,2-6H3;1H4/t11-;;/m0../s1
InChIKeyZHFBMMKLUAPYHN-IDMXKUIJSA-N
MW460.89 g/mol
LogP8.58
Rot. Bonds12

About tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane

tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane (PubChem CID 162119398) has the molecular formula C25H56O3Si2 and a molecular weight of 460.89 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane
PubChem CID162119398
Molecular FormulaC25H56O3Si2
Molecular Weight460.89 g/mol
Exact Mass460.38
IUPAC Nametert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane
SMILESC.C=CCCCCO[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCCCC[C@H]1CO1
InChIInChI=1S/C12H26O2Si.C12H26OSi.CH4/c1-12(2,3)15(4,5)14-9-7-6-8-11-10-13-11;1-7-8-9-10-11-13-14(5,6)12(2,3)4;/h11H,6-10H2,1-5H3;7H,1,8-11H2,2-6H3;1H4/t11-;;/m0../s1
InChIKeyZHFBMMKLUAPYHN-IDMXKUIJSA-N
XLogP8.58
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.89
LogP ≤ 58.58
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane with MolForge

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Related Compounds

Tert-butyl-dimethyl-[5-(oxiran-2-ylmethoxy)hept-6-enoxy]silane
CID 15632318
tert-butyl-dimethyl-[(5S)-5-tri(propan-2-yl)silyloxyhept-6-enoxy]silane
CID 139252213
Tert-butyl-dimethyl-[4-(oxiran-2-yl)butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane
CID 161708708
[(E)-1-[diethyl(methyl)silyl]-5-(oxiran-2-yl)pent-1-enoxy]-diethyl-methylsilane
CID 11110275
Trimethyl-[6-tri(propan-2-yl)silyloxyhept-1-en-2-yloxy]silane
CID 11382800
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970
trimethyl-[(6R)-6-tri(propan-2-yl)silyloxyhept-1-en-2-yl]oxysilane
CID 101757946
3-[(2R,3R)-3-[2-[(2R,3R)-3-but-3-enyloxiran-2-yl]ethyl]oxiran-2-yl]propoxy-tert-butyl-dimethylsilane
CID 101792742

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane?
The IUPAC name of tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane (CID 162119398) is tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane.
What is the SMILES notation for tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane?
The canonical SMILES for tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane is C.C=CCCCCO[Si](C)(C)C(C)(C)C.CC(C)(C)[Si](C)(C)OCCCC[C@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane?
The InChIKey is ZHFBMMKLUAPYHN-IDMXKUIJSA-N. The full InChI is InChI=1S/C12H26O2Si.C12H26OSi.CH4/c1-12(2,3)15(4,5)14-9-7-6-8-11-10-13-11;1-7-8-9-10-11-13-14(5,6)12(2,3)4;/h11H,6-10H2,1-5H3;7H,1,8-11H2,2-6H3;1H4/t11-;;/m0../s1.
What are the key properties of tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane?
tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane has a molecular weight of 460.89 g/mol, XLogP of 8.58, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[(2S)-oxiran-2-yl]butoxy]silane;tert-butyl-hex-5-enoxy-dimethylsilane;methane is sourced from PubChem (CID 162119398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).