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

C17H30OSi2 — CID 71379707

IUPACbut-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
SMILESCC=CCO[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
InChIKeyCMKRESWKTMCKLE-UHFFFAOYSA-N
MW306.60 g/mol
LogP4.77
Rot. Bonds6

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

but-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane (PubChem CID 71379707) has the molecular formula C17H30OSi2 and a molecular weight of 306.60 g/mol. Its IUPAC name is but-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane.

Molecular Properties

Compound Namebut-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
PubChem CID71379707
Molecular FormulaC17H30OSi2
Molecular Weight306.60 g/mol
Exact Mass306.18
IUPAC Namebut-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane
SMILESCC=CCO[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
InChIKeyCMKRESWKTMCKLE-UHFFFAOYSA-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 but-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane?
The IUPAC name of but-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane (CID 71379707) is but-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane.
What is the SMILES notation for but-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane?
The canonical SMILES for but-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane is CC=CCO[Si](C)(C)C#CCCCCC#C[Si](C)(C)C.
What is the InChIKey of but-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane?
The InChIKey is CMKRESWKTMCKLE-UHFFFAOYSA-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.
What are the key properties of but-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane?
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 but-2-enoxy-dimethyl-(8-trimethylsilylocta-1,7-diynyl)silane is sourced from PubChem (CID 71379707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).