[(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane

C17H30OSi2 — CID 12066316

IUPAC[(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
SMILESC/C=C/CO[Si](C)(C)C#CCCCCC#C[Si](C)(C)C
InChIInChI=1S/C17H30OSi2/c1-7-8-15-18-20(5,6)17-14-12-10-9-11-13-16-19(2,3)4/h7-8H,9-12,15H2,1-6H3/b8-7+
InChIKeyCMKRESWKTMCKLE-BQYQJAHWSA-N
MW306.60 g/mol
LogP4.77
Rot. Bonds6

About [(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane

[(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane (PubChem CID 12066316) has the molecular formula C17H30OSi2 and a molecular weight of 306.60 g/mol. Its IUPAC name is [(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane.

Molecular Properties

Compound Name[(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
PubChem CID12066316
Molecular FormulaC17H30OSi2
Molecular Weight306.60 g/mol
Exact Mass306.18
IUPAC Name[(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
SMILESC/C=C/CO[Si](C)(C)C#CCCCCC#C[Si](C)(C)C
InChIInChI=1S/C17H30OSi2/c1-7-8-15-18-20(5,6)17-14-12-10-9-11-13-16-19(2,3)4/h7-8H,9-12,15H2,1-6H3/b8-7+
InChIKeyCMKRESWKTMCKLE-BQYQJAHWSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.60
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane?
The IUPAC name of [(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane (CID 12066316) is [(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane.
What is the SMILES notation for [(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane?
The canonical SMILES for [(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane is C/C=C/CO[Si](C)(C)C#CCCCCC#C[Si](C)(C)C.
What is the InChIKey of [(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane?
The InChIKey is CMKRESWKTMCKLE-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H30OSi2/c1-7-8-15-18-20(5,6)17-14-12-10-9-11-13-16-19(2,3)4/h7-8H,9-12,15H2,1-6H3/b8-7+.
What are the key properties of [(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane?
[(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane has a molecular weight of 306.60 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enoxy]-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane is sourced from PubChem (CID 12066316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).