tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane

C15H24O2Si — CID 10869162

IUPACtert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC#CC1=CCC[C@H]2O[C@@H]12
InChIInChI=1S/C15H24O2Si/c1-15(2,3)18(4,5)16-11-7-9-12-8-6-10-13-14(12)17-13/h8,13-14H,6,10-11H2,1-5H3/t13-,14+/m1/s1
InChIKeyRJVXLBRDQMDXFH-KGLIPLIRSA-N
MW264.44 g/mol
LogP3.50
Rot. Bonds2

About tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane

tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane (PubChem CID 10869162) has the molecular formula C15H24O2Si and a molecular weight of 264.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane
PubChem CID10869162
Molecular FormulaC15H24O2Si
Molecular Weight264.44 g/mol
Exact Mass264.15
IUPAC Nametert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC#CC1=CCC[C@H]2O[C@@H]12
InChIInChI=1S/C15H24O2Si/c1-15(2,3)18(4,5)16-11-7-9-12-8-6-10-13-14(12)17-13/h8,13-14H,6,10-11H2,1-5H3/t13-,14+/m1/s1
InChIKeyRJVXLBRDQMDXFH-KGLIPLIRSA-N
XLogP3.50
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.50
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane (CID 10869162) is tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane is CC(C)(C)[Si](C)(C)OCC#CC1=CCC[C@H]2O[C@@H]12.
What is the InChIKey of tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane?
The InChIKey is RJVXLBRDQMDXFH-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H24O2Si/c1-15(2,3)18(4,5)16-11-7-9-12-8-6-10-13-14(12)17-13/h8,13-14H,6,10-11H2,1-5H3/t13-,14+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane?
tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane has a molecular weight of 264.44 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-[(1S,6R)-7-oxabicyclo[4.1.0]hept-2-en-2-yl]prop-2-ynoxy]silane is sourced from PubChem (CID 10869162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).