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

C11H18OSi — CID 14321949

IUPACtrimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@]12CCCC[C@H]1O2
InChIInChI=1S/C11H18OSi/c1-13(2,3)9-8-11-7-5-4-6-10(11)12-11/h10H,4-7H2,1-3H3/t10-,11-/m1/s1
InChIKeyLUJUZCVUIBTHGH-GHMZBOCLSA-N
MW194.35 g/mol
LogP2.58
Rot. Bonds

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

trimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane (PubChem CID 14321949) has the molecular formula C11H18OSi and a molecular weight of 194.35 g/mol. Its IUPAC name is trimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane
PubChem CID14321949
Molecular FormulaC11H18OSi
Molecular Weight194.35 g/mol
Exact Mass194.11
IUPAC Nametrimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@]12CCCC[C@H]1O2
InChIInChI=1S/C11H18OSi/c1-13(2,3)9-8-11-7-5-4-6-10(11)12-11/h10H,4-7H2,1-3H3/t10-,11-/m1/s1
InChIKeyLUJUZCVUIBTHGH-GHMZBOCLSA-N
XLogP2.58
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.35
LogP ≤ 52.58
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

2-[(2S,3R)-3-cyclohexyloxiran-2-yl]ethynyl-trimethylsilane
CID 10867900
Trimethyl-[2-(1-oxaspiro[2.5]octan-2-yl)ethynyl]silane
CID 10932696
(1S,6S)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane
CID 10942490
1-[2-(Trimethylsilyl)ethynyl]-7-oxabicyclo[4.1.0]heptane
CID 11424116
(1R,6R)-1-hex-1-ynyl-7-oxabicyclo[4.1.0]heptane
CID 12167984
(1R,6R)-1-(3-methylbut-1-ynyl)-7-oxabicyclo[4.1.0]heptane
CID 12167986
(1R,6R)-1-(3-methoxyprop-1-ynyl)-7-oxabicyclo[4.1.0]heptane
CID 12167989
7-Oxabicyclo[4.1.0]heptane, 1-(1-propynyl)-
CID 12271366
7-Oxabicyclo[4.1.0]heptane, 1-(1-propynyl)-, (1R,6R)-
CID 12271367
1-Hept-1-ynyl-7-oxabicyclo[4.1.0]heptane
CID 24806211
(1R)-1-prop-1-ynyl-7-oxabicyclo[4.1.0]heptane
CID 134854647
2-(3,3-Dibutyloxiran-2-yl)ethynyl-trimethylsilane
CID 134992884

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane (CID 14321949) is trimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane is C[Si](C)(C)C#C[C@]12CCCC[C@H]1O2.
What is the InChIKey of trimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane?
The InChIKey is LUJUZCVUIBTHGH-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18OSi/c1-13(2,3)9-8-11-7-5-4-6-10(11)12-11/h10H,4-7H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of trimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane?
trimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane has a molecular weight of 194.35 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]silane is sourced from PubChem (CID 14321949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).