trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane

C13H20Si — CID 11586488

IUPACtrimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane
SMILESC[Si](C)(C)C1=C[C@@H]2C=C[C@H]1[C@H]1CC[C@@H]21
InChIInChI=1S/C13H20Si/c1-14(2,3)13-8-9-4-5-12(13)11-7-6-10(9)11/h4-5,8-12H,6-7H2,1-3H3/t9-,10-,11-,12-/m0/s1
InChIKeyJIIULFWOPRUUIR-BJDJZHNGSA-N
MW204.39 g/mol
LogP3.63
Rot. Bonds1

About trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane

trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane (PubChem CID 11586488) has the molecular formula C13H20Si and a molecular weight of 204.39 g/mol. Its IUPAC name is trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane.

Molecular Properties

Compound Nametrimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane
PubChem CID11586488
Molecular FormulaC13H20Si
Molecular Weight204.39 g/mol
Exact Mass204.13
IUPAC Nametrimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane
SMILESC[Si](C)(C)C1=C[C@@H]2C=C[C@H]1[C@H]1CC[C@@H]21
InChIInChI=1S/C13H20Si/c1-14(2,3)13-8-9-4-5-12(13)11-7-6-10(9)11/h4-5,8-12H,6-7H2,1-3H3/t9-,10-,11-,12-/m0/s1
InChIKeyJIIULFWOPRUUIR-BJDJZHNGSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane?
The IUPAC name of trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane (CID 11586488) is trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane.
What is the SMILES notation for trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane?
The canonical SMILES for trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane is C[Si](C)(C)C1=C[C@@H]2C=C[C@H]1[C@H]1CC[C@@H]21.
What is the InChIKey of trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane?
The InChIKey is JIIULFWOPRUUIR-BJDJZHNGSA-N. The full InChI is InChI=1S/C13H20Si/c1-14(2,3)13-8-9-4-5-12(13)11-7-6-10(9)11/h4-5,8-12H,6-7H2,1-3H3/t9-,10-,11-,12-/m0/s1.
What are the key properties of trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane?
trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane has a molecular weight of 204.39 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1R,2R,5S,6S)-7-tricyclo[4.2.2.02,5]deca-7,9-dienyl]silane is sourced from PubChem (CID 11586488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).