tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane

C16H30O2Si — CID 11055137

IUPACtert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane
SMILESCCCCC12CCC=C(O[Si](C)(C)C(C)(C)C)C1O2
InChIInChI=1S/C16H30O2Si/c1-7-8-11-16-12-9-10-13(14(16)17-16)18-19(5,6)15(2,3)4/h10,14H,7-9,11-12H2,1-6H3
InChIKeyGBZOWFVIWBJLBW-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.01
Rot. Bonds5

About tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane

tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane (PubChem CID 11055137) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane
PubChem CID11055137
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Nametert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane
SMILESCCCCC12CCC=C(O[Si](C)(C)C(C)(C)C)C1O2
InChIInChI=1S/C16H30O2Si/c1-7-8-11-16-12-9-10-13(14(16)17-16)18-19(5,6)15(2,3)4/h10,14H,7-9,11-12H2,1-6H3
InChIKeyGBZOWFVIWBJLBW-UHFFFAOYSA-N
XLogP5.01
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trimethyl-[[(1R,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 11644380
trimethyl-[[(1S,4R,6S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 46839064
trimethyl-[[(1S,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134889954
trimethyl-[[(1R,4S,6R)-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 134939463
tert-butyl-dimethyl-[2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]heptan-2-ylidene]ethoxy]silane
CID 135043759
trimethyl-[[(1S,5R,6S)-5-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl]oxy]silane
CID 135046184
[(1S,4R,5S)-4-butyl-6-oxabicyclo[3.1.0]hex-2-en-2-yl]oxy-triethylsilane
CID 139263634
Trimethyl-[(1-methyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]silane
CID 12771792
tert-butyl-dimethyl-[[(1R,6S)-1-methyl-7-oxabicyclo[4.1.0]hept-4-en-3-yl]oxy]silane
CID 173863159
Tert-butyl-dimethyl-[(2-methyl-1-oxaspiro[2.5]oct-4-en-4-yl)oxy]silane
CID 10015202
Tert-butyl-dimethyl-(1-oxaspiro[2.6]non-4-en-4-yloxy)silane
CID 10037969
Trimethyl(1-oxaspiro[2.6]non-4-en-4-yloxy)silane
CID 10059049

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane (CID 11055137) is tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane is CCCCC12CCC=C(O[Si](C)(C)C(C)(C)C)C1O2.
What is the InChIKey of tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane?
The InChIKey is GBZOWFVIWBJLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-7-8-11-16-12-9-10-13(14(16)17-16)18-19(5,6)15(2,3)4/h10,14H,7-9,11-12H2,1-6H3.
What are the key properties of tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane?
tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane has a molecular weight of 282.50 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(6-butyl-7-oxabicyclo[4.1.0]hept-2-en-2-yl)oxy]-dimethylsilane is sourced from PubChem (CID 11055137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).