tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane

C14H24OSi — CID 102078566

IUPACtert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane
SMILESCC(C)(C)[Si](C)(C)C#C[C@]12CCCC[C@H]1O2
InChIInChI=1S/C14H24OSi/c1-13(2,3)16(4,5)11-10-14-9-7-6-8-12(14)15-14/h12H,6-9H2,1-5H3/t12-,14-/m1/s1
InChIKeyYCKLHPGPADJIJG-TZMCWYRMSA-N
MW236.43 g/mol
LogP3.75
Rot. Bonds

About tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane

tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane (PubChem CID 102078566) has the molecular formula C14H24OSi and a molecular weight of 236.43 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane
PubChem CID102078566
Molecular FormulaC14H24OSi
Molecular Weight236.43 g/mol
Exact Mass236.16
IUPAC Nametert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane
SMILESCC(C)(C)[Si](C)(C)C#C[C@]12CCCC[C@H]1O2
InChIInChI=1S/C14H24OSi/c1-13(2,3)16(4,5)11-10-14-9-7-6-8-12(14)15-14/h12H,6-9H2,1-5H3/t12-,14-/m1/s1
InChIKeyYCKLHPGPADJIJG-TZMCWYRMSA-N
XLogP3.75
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

Analyze tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane?
The IUPAC name of tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane (CID 102078566) is tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane is CC(C)(C)[Si](C)(C)C#C[C@]12CCCC[C@H]1O2.
What is the InChIKey of tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane?
The InChIKey is YCKLHPGPADJIJG-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H24OSi/c1-13(2,3)16(4,5)11-10-14-9-7-6-8-12(14)15-14/h12H,6-9H2,1-5H3/t12-,14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane?
tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane has a molecular weight of 236.43 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane is sourced from PubChem (CID 102078566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).