but-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane

C18H32OSi — CID 23777790

IUPACbut-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane
SMILESCC#CCO[Si](C#CCCCCCC)(C(C)C)C(C)C
InChIInChI=1S/C18H32OSi/c1-7-9-11-12-13-14-16-20(17(3)4,18(5)6)19-15-10-8-2/h17-18H,7,9,11-13,15H2,1-6H3
InChIKeyOWCGMUBAGXJMAC-UHFFFAOYSA-N
MW292.54 g/mol
LogP5.30
Rot. Bonds8

About but-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane

but-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane (PubChem CID 23777790) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is but-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane.

Molecular Properties

Compound Namebut-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane
PubChem CID23777790
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Namebut-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane
SMILESCC#CCO[Si](C#CCCCCCC)(C(C)C)C(C)C
InChIInChI=1S/C18H32OSi/c1-7-9-11-12-13-14-16-20(17(3)4,18(5)6)19-15-10-8-2/h17-18H,7,9,11-13,15H2,1-6H3
InChIKeyOWCGMUBAGXJMAC-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.30
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane?
The IUPAC name of but-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane (CID 23777790) is but-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane.
What is the SMILES notation for but-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane?
The canonical SMILES for but-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane is CC#CCO[Si](C#CCCCCCC)(C(C)C)C(C)C.
What is the InChIKey of but-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane?
The InChIKey is OWCGMUBAGXJMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OSi/c1-7-9-11-12-13-14-16-20(17(3)4,18(5)6)19-15-10-8-2/h17-18H,7,9,11-13,15H2,1-6H3.
What are the key properties of but-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane?
but-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane has a molecular weight of 292.54 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ynoxy-oct-1-ynyl-di(propan-2-yl)silane is sourced from PubChem (CID 23777790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).