tert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane

C17H32OSi2 — CID 57131418

IUPACtert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(CC#C[Si](C)(C)C)C1
InChIInChI=1S/C17H32OSi2/c1-17(2,3)20(7,8)18-16-12-11-15(14-16)10-9-13-19(4,5)6/h11,16H,10,12,14H2,1-8H3
InChIKeyIOLRWXXYJBPVOM-UHFFFAOYSA-N
MW308.61 g/mol
LogP5.37
Rot. Bonds3

About tert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane

tert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane (PubChem CID 57131418) has the molecular formula C17H32OSi2 and a molecular weight of 308.61 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane
PubChem CID57131418
Molecular FormulaC17H32OSi2
Molecular Weight308.61 g/mol
Exact Mass308.20
IUPAC Nametert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CC=C(CC#C[Si](C)(C)C)C1
InChIInChI=1S/C17H32OSi2/c1-17(2,3)20(7,8)18-16-12-11-15(14-16)10-9-13-19(4,5)6/h11,16H,10,12,14H2,1-8H3
InChIKeyIOLRWXXYJBPVOM-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.61
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E)-henicos-8-en-6-yn-11-yl]oxy-dimethylsilane
CID 11247187
tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane
CID 11438740
tert-butyl-[(E,4S)-dodec-6-en-2-yn-4-yl]oxy-dimethylsilane
CID 138964883
tert-butyl-dimethyl-[(E,6R)-1-trimethylsilylundec-4-en-1-yn-6-yl]oxysilane
CID 138967662
tert-butyl-dimethyl-[(Z)-1-trimethylsilyldec-3-en-1-yn-5-yl]oxysilane
CID 146163108
tert-butyl-dimethyl-[(Z,5S)-1-trimethylsilyldec-3-en-1-yn-5-yl]oxysilane
CID 146163198
2-[(3R,4R,5E)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-prop-2-ynylidenecyclopenten-1-yl]ethynyl-trimethylsilane
CID 11496309
tert-butyl-[(4S,6R)-6,10-dimethylundec-9-en-2-yn-4-yl]oxy-dimethylsilane
CID 15672916
Tert-butyl-dimethyl-(3-prop-2-enylcyclopent-3-en-1-yl)oxysilane
CID 57025956
tert-butyl-[(E,4S,5S)-5,7-dimethylnon-6-en-8-yn-4-yl]oxy-dimethylsilane
CID 58139588
tert-butyl-[(1R)-3-ethynyl-4-methyl-6-methylidenecyclohex-3-en-1-yl]oxy-dimethylsilane
CID 89597294
Trimethyl(10-trimethylsilyldec-7-en-9-yn-5-yloxy)silane
CID 153882592

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane (CID 57131418) is tert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane is CC(C)(C)[Si](C)(C)OC1CC=C(CC#C[Si](C)(C)C)C1.
What is the InChIKey of tert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane?
The InChIKey is IOLRWXXYJBPVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32OSi2/c1-17(2,3)20(7,8)18-16-12-11-15(14-16)10-9-13-19(4,5)6/h11,16H,10,12,14H2,1-8H3.
What are the key properties of tert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane?
tert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane has a molecular weight of 308.61 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(3-trimethylsilylprop-2-ynyl)cyclopent-3-en-1-yl]oxysilane is sourced from PubChem (CID 57131418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).