[(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane

C15H31BSi — CID 134903825

IUPAC[(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane
SMILESC=C(C)/C(=C(\CC)B(CC)CC)[Si](C)(C)CC
InChIInChI=1S/C15H31BSi/c1-9-14(16(10-2)11-3)15(13(5)6)17(7,8)12-4/h5,9-12H2,1-4,6-8H3/b15-14-
InChIKeyGTSHNFFFOOFZQM-PFONDFGASA-N
MW250.31 g/mol
LogP5.61
Rot. Bonds7

About [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane

[(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane (PubChem CID 134903825) has the molecular formula C15H31BSi and a molecular weight of 250.31 g/mol. Its IUPAC name is [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane.

Molecular Properties

Compound Name[(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane
PubChem CID134903825
Molecular FormulaC15H31BSi
Molecular Weight250.31 g/mol
Exact Mass250.23
IUPAC Name[(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane
SMILESC=C(C)/C(=C(\CC)B(CC)CC)[Si](C)(C)CC
InChIInChI=1S/C15H31BSi/c1-9-14(16(10-2)11-3)15(13(5)6)17(7,8)12-4/h5,9-12H2,1-4,6-8H3/b15-14-
InChIKeyGTSHNFFFOOFZQM-PFONDFGASA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.31
LogP ≤ 55.61
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)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane?
The IUPAC name of [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane (CID 134903825) is [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane.
What is the SMILES notation for [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane?
The canonical SMILES for [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane is C=C(C)/C(=C(\CC)B(CC)CC)[Si](C)(C)CC.
What is the InChIKey of [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane?
The InChIKey is GTSHNFFFOOFZQM-PFONDFGASA-N. The full InChI is InChI=1S/C15H31BSi/c1-9-14(16(10-2)11-3)15(13(5)6)17(7,8)12-4/h5,9-12H2,1-4,6-8H3/b15-14-.
What are the key properties of [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane?
[(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane has a molecular weight of 250.31 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-diethylboranyl-2-methylhexa-1,3-dien-3-yl]-ethyl-dimethylsilane is sourced from PubChem (CID 134903825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).