trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane

C16H32O3Si2 — CID 11359388

IUPACtrimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane
SMILESC[C@@H]1[C@@H](O[Si](C)(C)C)[C@]2(C)CC=C(O[Si](C)(C)C)[C@@]1(C)O2
InChIInChI=1S/C16H32O3Si2/c1-12-14(18-21(7,8)9)15(2)11-10-13(16(12,3)19-15)17-20(4,5)6/h10,12,14H,11H2,1-9H3/t12-,14-,15+,16+/m1/s1
InChIKeyRAJBEPOJJUEEGJ-OJLVUWQFSA-N
MW328.60 g/mol
LogP4.53
Rot. Bonds4

About trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane

trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane (PubChem CID 11359388) has the molecular formula C16H32O3Si2 and a molecular weight of 328.60 g/mol. Its IUPAC name is trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane
PubChem CID11359388
Molecular FormulaC16H32O3Si2
Molecular Weight328.60 g/mol
Exact Mass328.19
IUPAC Nametrimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane
SMILESC[C@@H]1[C@@H](O[Si](C)(C)C)[C@]2(C)CC=C(O[Si](C)(C)C)[C@@]1(C)O2
InChIInChI=1S/C16H32O3Si2/c1-12-14(18-21(7,8)9)15(2)11-10-13(16(12,3)19-15)17-20(4,5)6/h10,12,14H,11H2,1-9H3/t12-,14-,15+,16+/m1/s1
InChIKeyRAJBEPOJJUEEGJ-OJLVUWQFSA-N
XLogP4.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane?
The IUPAC name of trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane (CID 11359388) is trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane is C[C@@H]1[C@@H](O[Si](C)(C)C)[C@]2(C)CC=C(O[Si](C)(C)C)[C@@]1(C)O2.
What is the InChIKey of trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane?
The InChIKey is RAJBEPOJJUEEGJ-OJLVUWQFSA-N. The full InChI is InChI=1S/C16H32O3Si2/c1-12-14(18-21(7,8)9)15(2)11-10-13(16(12,3)19-15)17-20(4,5)6/h10,12,14H,11H2,1-9H3/t12-,14-,15+,16+/m1/s1.
What are the key properties of trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane?
trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane has a molecular weight of 328.60 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1S,5S,6R,7R)-1,5,7-trimethyl-2-trimethylsilyloxy-8-oxabicyclo[3.2.1]oct-2-en-6-yl]oxy]silane is sourced from PubChem (CID 11359388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).