[(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane

C24H50B2Si2 — CID 101173274

IUPAC[(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane
SMILESCCB(CC)/C(CC)=C(/C=C/C(=C(\CC)B(CC)CC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C24H50B2Si2/c1-13-21(25(15-3)16-4)23(27(7,8)9)19-20-24(28(10,11)12)22(14-2)26(17-5)18-6/h19-20H,13-18H2,1-12H3/b20-19+,23-21-,24-22-
InChIKeySGTWZCAABDIWEF-FZJNOWLPSA-N
MW416.46 g/mol
LogP8.86
Rot. Bonds12

About [(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane

[(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane (PubChem CID 101173274) has the molecular formula C24H50B2Si2 and a molecular weight of 416.46 g/mol. Its IUPAC name is [(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane
PubChem CID101173274
Molecular FormulaC24H50B2Si2
Molecular Weight416.46 g/mol
Exact Mass416.36
IUPAC Name[(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane
SMILESCCB(CC)/C(CC)=C(/C=C/C(=C(\CC)B(CC)CC)[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C24H50B2Si2/c1-13-21(25(15-3)16-4)23(27(7,8)9)19-20-24(28(10,11)12)22(14-2)26(17-5)18-6/h19-20H,13-18H2,1-12H3/b20-19+,23-21-,24-22-
InChIKeySGTWZCAABDIWEF-FZJNOWLPSA-N
XLogP8.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane?
The IUPAC name of [(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane (CID 101173274) is [(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane.
What is the SMILES notation for [(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane?
The canonical SMILES for [(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane is CCB(CC)/C(CC)=C(/C=C/C(=C(\CC)B(CC)CC)[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane?
The InChIKey is SGTWZCAABDIWEF-FZJNOWLPSA-N. The full InChI is InChI=1S/C24H50B2Si2/c1-13-21(25(15-3)16-4)23(27(7,8)9)19-20-24(28(10,11)12)22(14-2)26(17-5)18-6/h19-20H,13-18H2,1-12H3/b20-19+,23-21-,24-22-.
What are the key properties of [(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane?
[(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane has a molecular weight of 416.46 g/mol, XLogP of 8.86, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane is sourced from PubChem (CID 101173274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).