tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane

C12H24O2Si — CID 11042502

IUPACtert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane
SMILESC=C/C=C(/OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-10-11(13-9-2)14-15(6,7)12(3,4)5/h8,10H,1,9H2,2-7H3/b11-10-
InChIKeyQXYGNGLIMNFWFH-KHPPLWFESA-N
MW228.41 g/mol
LogP4.07
Rot. Bonds5

About tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane

tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane (PubChem CID 11042502) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane
PubChem CID11042502
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane
SMILESC=C/C=C(/OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-10-11(13-9-2)14-15(6,7)12(3,4)5/h8,10H,1,9H2,2-7H3/b11-10-
InChIKeyQXYGNGLIMNFWFH-KHPPLWFESA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E)-1-methoxyprop-1-enoxy]-dimethylsilane
CID 11264143
tert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane
CID 11521586
Hncguuqcbjwxqv-izzdovswsa-
CID 13124115
[(1Z,3E)-1,4-dimethoxy-2-methylbuta-1,3-dienoxy]-trimethylsilane
CID 134876412
tert-butyl-dimethyl-[(1Z)-1-[(2-methylpropan-2-yl)oxy]buta-1,3-dienoxy]silane
CID 146018189
Tert-butyl-(4-methoxybuta-1,3-dien-2-yloxy)-dimethylsilane
CID 4060963
trans-3-(tert-Butyldimethylsilyloxy)-1-methoxy-1,3-butadiene
CID 6000481
1-Trimethylsilyloxy-1-methoxybuta-1,3-diene
CID 10899145
[(1Z)-1-methoxybuta-1,3-dienoxy]-trimethylsilane
CID 10920981
tert-butyl-[(1Z)-1-methoxybuta-1,3-dienoxy]-dimethylsilane
CID 10998393
[(E)-1-ethoxyprop-1-enoxy]-trimethylsilane
CID 11008428
[(Z)-1-ethoxyprop-1-enoxy]-trimethylsilane
CID 11073918

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane (CID 11042502) is tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane is C=C/C=C(/OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane?
The InChIKey is QXYGNGLIMNFWFH-KHPPLWFESA-N. The full InChI is InChI=1S/C12H24O2Si/c1-8-10-11(13-9-2)14-15(6,7)12(3,4)5/h8,10H,1,9H2,2-7H3/b11-10-.
What are the key properties of tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane?
tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane has a molecular weight of 228.41 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1Z)-1-ethoxybuta-1,3-dienoxy]-dimethylsilane is sourced from PubChem (CID 11042502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).