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'}

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Related Compounds

cis-(1R,2R)-2-[2-[tert-butyl(dimethyl)silyl]ethynyl]-2-methylcyclohexan-1-ol
CID 162494718
3-(7-oxabicyclo[4.1.0]heptan-1-yl)prop-2-yn-1-ol
CID 86174062
1-(2-phenylethynyl)-13-oxabicyclo[10.1.0]tridecane
CID 24806214
tributyl-[2-[(1S,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]stannane
CID 124919059
tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane
CID 102386072
1-tert-butyl-13-oxabicyclo[10.1.0]tridecane
CID 139970626
(1S)-3-[tert-butyl(dimethyl)silyl]-1-cyclohexylprop-2-yn-1-ol
CID 124629082
1-(7-oxabicyclo[4.1.0]heptan-1-yl)-7-oxabicyclo[4.1.0]heptane
CID 4694469
tert-butyl-(3,3-dimethylbut-1-ynyl)-dimethylsilane
CID 86138061
[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl] 2,2-dimethylpropanoate
CID 11138075
1-ethyl-9-oxabicyclo[6.1.0]nonane
CID 19373802
1-fluoro-13-oxabicyclo[10.1.0]tridecane
CID 11052651

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).