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

C17H30OSi — CID 86760618

IUPACtert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C1(CC2CC2)CCC1
InChIInChI=1S/C17H30OSi/c1-7-15(18-19(5,6)16(2,3)4)17(11-8-12-17)13-14-9-10-14/h1,14-15H,8-13H2,2-6H3
InChIKeyGSBVLLBHXXTWKJ-UHFFFAOYSA-N
MW278.51 g/mol
LogP4.98
Rot. Bonds5

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

tert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane (PubChem CID 86760618) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is tert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane
PubChem CID86760618
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Nametert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane
SMILESC#CC(O[Si](C)(C)C(C)(C)C)C1(CC2CC2)CCC1
InChIInChI=1S/C17H30OSi/c1-7-15(18-19(5,6)16(2,3)4)17(11-8-12-17)13-14-9-10-14/h1,14-15H,8-13H2,2-6H3
InChIKeyGSBVLLBHXXTWKJ-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.98
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-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane (CID 86760618) is tert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane is C#CC(O[Si](C)(C)C(C)(C)C)C1(CC2CC2)CCC1.
What is the InChIKey of tert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane?
The InChIKey is GSBVLLBHXXTWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-7-15(18-19(5,6)16(2,3)4)17(11-8-12-17)13-14-9-10-14/h1,14-15H,8-13H2,2-6H3.
What are the key properties of tert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane?
tert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[1-(cyclopropylmethyl)cyclobutyl]prop-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 86760618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).