tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane

C16H28OSi — CID 155673269

IUPACtert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1(C#CC2CC2)CCC1
InChIInChI=1S/C16H28OSi/c1-15(2,3)18(4,5)17-13-16(10-6-11-16)12-9-14-7-8-14/h14H,6-8,10-11,13H2,1-5H3
InChIKeyKIMWAQWTGUXNTK-UHFFFAOYSA-N
MW264.48 g/mol
LogP4.59
Rot. Bonds3

About tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane

tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane (PubChem CID 155673269) has the molecular formula C16H28OSi and a molecular weight of 264.48 g/mol. Its IUPAC name is tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane
PubChem CID155673269
Molecular FormulaC16H28OSi
Molecular Weight264.48 g/mol
Exact Mass264.19
IUPAC Nametert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1(C#CC2CC2)CCC1
InChIInChI=1S/C16H28OSi/c1-15(2,3)18(4,5)17-13-16(10-6-11-16)12-9-14-7-8-14/h14H,6-8,10-11,13H2,1-5H3
InChIKeyKIMWAQWTGUXNTK-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.48
LogP ≤ 54.59
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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Related Compounds

1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-ol
CID 70362766
tert-butyl-dimethyl-[(1-prop-2-ynylcyclobutyl)methoxy]silane
CID 165342832
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl] formate
CID 88528246
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 59000904
(2S)-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylsulfanylpropan-2-yl]-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-amine
CID 68962757
4-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethynyl]-2-chloropyridin-3-amine
CID 156678367
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentan-1-ol
CID 75230273
tert-butyl-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]thiolan-3-yl]methoxy]-dimethylsilane
CID 11710579
(3aS,7aR)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylidenespiro[2,3,3a,7-tetrahydro-1H-indene-5,1'-cyclopropane]-4-one
CID 11034576
3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-amine
CID 171692296
methyl 2-[(2R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]acetate
CID 15347120
methyl [1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanesulfonate
CID 175541314

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane (CID 155673269) is tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1(C#CC2CC2)CCC1.
What is the InChIKey of tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane?
The InChIKey is KIMWAQWTGUXNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi/c1-15(2,3)18(4,5)17-13-16(10-6-11-16)12-9-14-7-8-14/h14H,6-8,10-11,13H2,1-5H3.
What are the key properties of tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane?
tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane has a molecular weight of 264.48 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane is sourced from PubChem (CID 155673269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).