2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane

C15H26O2Si — CID 11219335

IUPAC2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCO[C@H]1C=C[C@H]2C=C[C@@H]1CC2
InChIInChI=1S/C15H26O2Si/c1-18(2,3)11-10-16-12-17-15-9-6-13-4-7-14(15)8-5-13/h4,6-7,9,13-15H,5,8,10-12H2,1-3H3/t13-,14+,15-/m0/s1
InChIKeyWWEWCFCDSXNOLS-ZNMIVQPWSA-N
MW266.46 g/mol
LogP3.84
Rot. Bonds6

About 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane

2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 11219335) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane
PubChem CID11219335
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCO[C@H]1C=C[C@H]2C=C[C@@H]1CC2
InChIInChI=1S/C15H26O2Si/c1-18(2,3)11-10-16-12-17-15-9-6-13-4-7-14(15)8-5-13/h4,6-7,9,13-15H,5,8,10-12H2,1-3H3/t13-,14+,15-/m0/s1
InChIKeyWWEWCFCDSXNOLS-ZNMIVQPWSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane (CID 11219335) is 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCO[C@H]1C=C[C@H]2C=C[C@@H]1CC2.
What is the InChIKey of 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is WWEWCFCDSXNOLS-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-18(2,3)11-10-16-12-17-15-9-6-13-4-7-14(15)8-5-13/h4,6-7,9,13-15H,5,8,10-12H2,1-3H3/t13-,14+,15-/m0/s1.
What are the key properties of 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane?
2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 266.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S,5R)-2-bicyclo[3.2.2]nona-3,6-dienyl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 11219335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).