(2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane

C26H41BSi — CID 102297926

IUPAC(2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane
SMILESC=C[Si]1(c2ccccc2)C(CCCC)=C(CC)C(B(CC)CC)=C1CCCC
InChIInChI=1S/C26H41BSi/c1-7-13-20-24-23(9-3)26(27(10-4)11-5)25(21-14-8-2)28(24,12-6)22-18-16-15-17-19-22/h12,15-19H,6-11,13-14,20-21H2,1-5H3
InChIKeyVKLVRGIIQVLSNR-UHFFFAOYSA-N
MW392.51 g/mol
LogP7.62
Rot. Bonds12

About (2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane

(2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane (PubChem CID 102297926) has the molecular formula C26H41BSi and a molecular weight of 392.51 g/mol. Its IUPAC name is (2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane.

Molecular Properties

Compound Name(2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane
PubChem CID102297926
Molecular FormulaC26H41BSi
Molecular Weight392.51 g/mol
Exact Mass392.31
IUPAC Name(2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane
SMILESC=C[Si]1(c2ccccc2)C(CCCC)=C(CC)C(B(CC)CC)=C1CCCC
InChIInChI=1S/C26H41BSi/c1-7-13-20-24-23(9-3)26(27(10-4)11-5)25(21-14-8-2)28(24,12-6)22-18-16-15-17-19-22/h12,15-19H,6-11,13-14,20-21H2,1-5H3
InChIKeyVKLVRGIIQVLSNR-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dibutyl-1-chloro-4-ethyl-1-phenylsilol-3-yl)-diethylborane
CID 102279337
[1,1-bis(ethenyl)-4-ethyl-2,5-diphenylsilol-3-yl]-diethylborane
CID 102297931
hex-1-ene;toluene
CID 22480689
1-butyl-2-prop-2-enylbenzene
CID 18786435
1-butyl-3-(1-phenylethyl)benzene
CID 141315490
dodec-4-enylbenzene
CID 54018856
ethenylsilane;heptylbenzene
CID 174982410
hept-1-ene;styrene
CID 163533806
heptadec-4-enylbenzene
CID 173163087
butylbenzene;propylbenzene
CID 142022125
pentane;prop-2-enylbenzene
CID 90884247
2,4-dibutyl-3,5-bis(methyl-phenyl-prop-2-enylsilyl)cyclopenta-2,4-dien-1-one
CID 101063552

Frequently Asked Questions

What is the IUPAC name of (2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane?
The IUPAC name of (2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane (CID 102297926) is (2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane.
What is the SMILES notation for (2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane?
The canonical SMILES for (2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane is C=C[Si]1(c2ccccc2)C(CCCC)=C(CC)C(B(CC)CC)=C1CCCC.
What is the InChIKey of (2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane?
The InChIKey is VKLVRGIIQVLSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41BSi/c1-7-13-20-24-23(9-3)26(27(10-4)11-5)25(21-14-8-2)28(24,12-6)22-18-16-15-17-19-22/h12,15-19H,6-11,13-14,20-21H2,1-5H3.
What are the key properties of (2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane?
(2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane has a molecular weight of 392.51 g/mol, XLogP of 7.62, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibutyl-1-ethenyl-4-ethyl-1-phenylsilol-3-yl)-diethylborane is sourced from PubChem (CID 102297926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).