tert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane

C17H32OSi — CID 86600161

IUPACtert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C1(CCCC)CCC1
InChIInChI=1S/C17H32OSi/c1-8-10-12-17(13-11-14-17)15(9-2)18-19(6,7)16(3,4)5/h2,15H,8,10-14H2,1,3-7H3
InChIKeyWJCXXQDNLSIFII-UHFFFAOYSA-N
MW280.53 g/mol
LogP5.37
Rot. Bonds6

About tert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane

tert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane (PubChem CID 86600161) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane
PubChem CID86600161
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C1(CCCC)CCC1
InChIInChI=1S/C17H32OSi/c1-8-10-12-17(13-11-14-17)15(9-2)18-19(6,7)16(3,4)5/h2,15H,8,10-14H2,1,3-7H3
InChIKeyWJCXXQDNLSIFII-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 tert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane (CID 86600161) is tert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane is C#CC(O[Si](C)(C)C(C)(C)C)C1(CCCC)CCC1.
What is the InChIKey of tert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane?
The InChIKey is WJCXXQDNLSIFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi/c1-8-10-12-17(13-11-14-17)15(9-2)18-19(6,7)16(3,4)5/h2,15H,8,10-14H2,1,3-7H3.
What are the key properties of tert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane?
tert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane has a molecular weight of 280.53 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(1-butylcyclobutyl)prop-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 86600161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).