[(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane

C13H29BSi — CID 14436714

IUPAC[(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane
SMILESCCB(CC)/C(CC)=C(/C)[Si](C)(C)CC
InChIInChI=1S/C13H29BSi/c1-8-13(14(9-2)10-3)12(5)15(6,7)11-4/h8-11H2,1-7H3/b13-12-
InChIKeyJKMVPFXIKGKNGQ-SEYXRHQNSA-N
MW224.27 g/mol
LogP5.05
Rot. Bonds6

About [(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane

[(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane (PubChem CID 14436714) has the molecular formula C13H29BSi and a molecular weight of 224.27 g/mol. Its IUPAC name is [(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane.

Molecular Properties

Compound Name[(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane
PubChem CID14436714
Molecular FormulaC13H29BSi
Molecular Weight224.27 g/mol
Exact Mass224.21
IUPAC Name[(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane
SMILESCCB(CC)/C(CC)=C(/C)[Si](C)(C)CC
InChIInChI=1S/C13H29BSi/c1-8-13(14(9-2)10-3)12(5)15(6,7)11-4/h8-11H2,1-7H3/b13-12-
InChIKeyJKMVPFXIKGKNGQ-SEYXRHQNSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.27
LogP ≤ 55.05
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

1-Oxa-2-sila-5-boracyclopent-3-ene, 4,5-diethyl-2,2,3-trimethyl-
CID 574206
2-Pentene, 3-diethylboryl-2-trimethylsilyl-
CID 5366484
3-Hexene, 3-diethylboryl-4-trimethylsilyl-
CID 5366485
e-1-Diallylboranyl-1-allyl-2-methyl-2-trimethylsilylethene
CID 15889222
(e)-Diethylboryl-2-trimethylsilyl-pent-2-ene
CID 129828524
(e)-Diethylboryl-2-dimethyl-silyl-pent-2-ene
CID 129828783
CID 134870873
CID 134870873
CID 134892675
CID 134892675
1-Thia-2-sila-5-boracyclopent-3-ene, 4,5-diethyl-2,2,3-trimethyl-
CID 593224
1-Oxa-2-sila-5-boracyclopent-3-ene, 2,4,5-triethyl-2,3-dimethyl-
CID 597424
1-Selena-2-sila-5-boracyclopent-3-ene, 4,5-diethyl-2,2,3-trimethyl-
CID 608947
Silane, (1,2-diethyl-1,2-ethenediyl)bis[trimethyl-
CID 642557

Frequently Asked Questions

What is the IUPAC name of [(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane?
The IUPAC name of [(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane (CID 14436714) is [(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane.
What is the SMILES notation for [(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane?
The canonical SMILES for [(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane is CCB(CC)/C(CC)=C(/C)[Si](C)(C)CC.
What is the InChIKey of [(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane?
The InChIKey is JKMVPFXIKGKNGQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H29BSi/c1-8-13(14(9-2)10-3)12(5)15(6,7)11-4/h8-11H2,1-7H3/b13-12-.
What are the key properties of [(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane?
[(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane has a molecular weight of 224.27 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-diethylboranylpent-2-en-2-yl]-ethyl-dimethylsilane is sourced from PubChem (CID 14436714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).