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

C13H26O2Si — CID 11521586

IUPACtert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane
SMILESC=C(C)/C=C(/OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-9-14-12(10-11(2)3)15-16(7,8)13(4,5)6/h10H,2,9H2,1,3-8H3/b12-10-
InChIKeyOOMWABKDLZNYOZ-BENRWUELSA-N
MW242.43 g/mol
LogP4.46
Rot. Bonds5

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

tert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane (PubChem CID 11521586) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is tert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane
PubChem CID11521586
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane
SMILESC=C(C)/C=C(/OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-9-14-12(10-11(2)3)15-16(7,8)13(4,5)6/h10H,2,9H2,1,3-8H3/b12-10-
InChIKeyOOMWABKDLZNYOZ-BENRWUELSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.46
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane (CID 11521586) is tert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane is C=C(C)/C=C(/OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane?
The InChIKey is OOMWABKDLZNYOZ-BENRWUELSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-9-14-12(10-11(2)3)15-16(7,8)13(4,5)6/h10H,2,9H2,1,3-8H3/b12-10-.
What are the key properties of tert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane?
tert-butyl-[(1Z)-1-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane has a molecular weight of 242.43 g/mol, XLogP of 4.46, 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-ethoxy-3-methylbuta-1,3-dienoxy]-dimethylsilane is sourced from PubChem (CID 11521586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).