[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane

C16H33BSi — CID 134979229

IUPAC[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane
SMILESCCB(CC)/C(CC)=C(/C=C(C)C)[Si](C)(C)CC
InChIInChI=1S/C16H33BSi/c1-9-15(17(10-2)11-3)16(13-14(5)6)18(7,8)12-4/h13H,9-12H2,1-8H3/b16-15-
InChIKeyPVBFSXISVBCROS-NXVVXOECSA-N
MW264.34 g/mol
LogP6.00
Rot. Bonds7

About [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane

[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane (PubChem CID 134979229) has the molecular formula C16H33BSi and a molecular weight of 264.34 g/mol. Its IUPAC name is [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane.

Molecular Properties

Compound Name[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane
PubChem CID134979229
Molecular FormulaC16H33BSi
Molecular Weight264.34 g/mol
Exact Mass264.24
IUPAC Name[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane
SMILESCCB(CC)/C(CC)=C(/C=C(C)C)[Si](C)(C)CC
InChIInChI=1S/C16H33BSi/c1-9-15(17(10-2)11-3)16(13-14(5)6)18(7,8)12-4/h13H,9-12H2,1-8H3/b16-15-
InChIKeyPVBFSXISVBCROS-NXVVXOECSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.34
LogP ≤ 56.00
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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Related Compounds

[(3E,5E,7E)-3,8-bis(diethylboranyl)-7-trimethylsilyldeca-3,5,7-trien-4-yl]-trimethylsilane
CID 101173274
[(Z)-3-diethylboranylpent-2-en-2-yl]-trimethylsilane
CID 12871273
[(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane
CID 101173275
diethyl-[(E)-4,5,5-trimethylhex-3-en-3-yl]borane
CID 5362690
(Z)-3-diethylboranyl-2-[hydroxy(dimethyl)silyl]-N,N-dimethylpent-2-en-1-amine
CID 102327355
CID 177463434
CID 177463434
diethyl-[(E)-4-(methoxymethyl)hex-3-en-3-yl]borane
CID 101279186
(4E,5E,6E)-4,5-di(ethylidene)-2,7-dimethylnona-2,6-diene
CID 144520293
alumane;2-methylbut-2-ene
CID 174293100
2-[ethyl(dimethyl)silyl]-N,N-dimethylprop-1-en-1-amine
CID 161235465
butan-2-one;4-methylpent-3-en-2-one
CID 87594966
(4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene
CID 143323288

Frequently Asked Questions

What is the IUPAC name of [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane?
The IUPAC name of [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane (CID 134979229) is [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane.
What is the SMILES notation for [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane?
The canonical SMILES for [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane is CCB(CC)/C(CC)=C(/C=C(C)C)[Si](C)(C)CC.
What is the InChIKey of [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane?
The InChIKey is PVBFSXISVBCROS-NXVVXOECSA-N. The full InChI is InChI=1S/C16H33BSi/c1-9-15(17(10-2)11-3)16(13-14(5)6)18(7,8)12-4/h13H,9-12H2,1-8H3/b16-15-.
What are the key properties of [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane?
[(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane has a molecular weight of 264.34 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-5-diethylboranyl-2-methylhepta-2,4-dien-4-yl]-ethyl-dimethylsilane is sourced from PubChem (CID 134979229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).