trimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane

C14H26O2Si2 — CID 10978934

IUPACtrimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane
SMILESC[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H]2CC=CC[C@H]12
InChIInChI=1S/C14H26O2Si2/c1-17(2,3)15-13-11-9-7-8-10-12(11)14(13)16-18(4,5)6/h7-8,11-12H,9-10H2,1-6H3/t11-,12+
InChIKeyXHJKMIWBWQSSFQ-TXEJJXNPSA-N
MW282.53 g/mol
LogP4.50
Rot. Bonds4

About trimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane

trimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane (PubChem CID 10978934) has the molecular formula C14H26O2Si2 and a molecular weight of 282.53 g/mol. Its IUPAC name is trimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane
PubChem CID10978934
Molecular FormulaC14H26O2Si2
Molecular Weight282.53 g/mol
Exact Mass282.15
IUPAC Nametrimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane
SMILESC[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H]2CC=CC[C@H]12
InChIInChI=1S/C14H26O2Si2/c1-17(2,3)15-13-11-9-7-8-10-12(11)14(13)16-18(4,5)6/h7-8,11-12H,9-10H2,1-6H3/t11-,12+
InChIKeyXHJKMIWBWQSSFQ-TXEJJXNPSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.53
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane?
The IUPAC name of trimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane (CID 10978934) is trimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane.
What is the SMILES notation for trimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane?
The canonical SMILES for trimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane is C[Si](C)(C)OC1=C(O[Si](C)(C)C)[C@@H]2CC=CC[C@H]12.
What is the InChIKey of trimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane?
The InChIKey is XHJKMIWBWQSSFQ-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H26O2Si2/c1-17(2,3)15-13-11-9-7-8-10-12(11)14(13)16-18(4,5)6/h7-8,11-12H,9-10H2,1-6H3/t11-,12+.
What are the key properties of trimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane?
trimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane has a molecular weight of 282.53 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(1S,6R)-8-trimethylsilyloxy-7-bicyclo[4.2.0]octa-3,7-dienyl]oxy]silane is sourced from PubChem (CID 10978934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).