[(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane

C15H33BSn — CID 14917780

IUPAC[(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane
SMILESCCCC/C(=C(\CC)B(CC)CC)[Sn](C)(C)C
InChIInChI=1S/C12H24B.3CH3.Sn/c1-5-9-10-11-12(6-2)13(7-3)8-4;;;;/h5-10H2,1-4H3;3*1H3;
InChIKeyIAHFEQMSCGCVBP-UHFFFAOYSA-N
MW342.95 g/mol
LogP5.83
Rot. Bonds8

About [(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane

[(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane (PubChem CID 14917780) has the molecular formula C15H33BSn and a molecular weight of 342.95 g/mol. Its IUPAC name is [(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane.

Molecular Properties

Compound Name[(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane
PubChem CID14917780
Molecular FormulaC15H33BSn
Molecular Weight342.95 g/mol
Exact Mass344.17
IUPAC Name[(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane
SMILESCCCC/C(=C(\CC)B(CC)CC)[Sn](C)(C)C
InChIInChI=1S/C12H24B.3CH3.Sn/c1-5-9-10-11-12(6-2)13(7-3)8-4;;;;/h5-10H2,1-4H3;3*1H3;
InChIKeyIAHFEQMSCGCVBP-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.95
LogP ≤ 55.83
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

Borane, diethyl[1-ethyl-2-(trimethylstannyl)-1-propenyl]-
CID 5362824
[(E)-3-diethylboranylpent-2-en-2-yl]-trimethylstannane
CID 12060888
Trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane
CID 13227106
tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane
CID 134904028
3-Diethylboranylpent-2-en-2-yl(trimethyl)stannane
CID 534929
2,6-Dibutyl-1,1-dimethyl-3,4,5-tri(propan-2-yl)-1,4-stannaborinine
CID 21598095
tributyl-[(E)-6-dihexylboranyldodec-5-en-5-yl]stannane
CID 10326759
tributyl-[(E)-3-diethylboranyldec-3-en-4-yl]stannane
CID 10791429
tributyl-[(E)-7-dihexylboranyltridec-6-en-6-yl]stannane
CID 10841965
tributyl-[(E)-8-dihexylboranyltetradec-7-en-7-yl]stannane
CID 11764974
[(E)-4-dimethylstannanyliumyloct-3-en-3-yl]-diethyl-hex-1-ynylboranuide
CID 21598048
bis[(E)-3-diethylboranylhept-3-en-4-yl]-dimethylstannane
CID 21598064

Frequently Asked Questions

What is the IUPAC name of [(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane?
The IUPAC name of [(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane (CID 14917780) is [(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane.
What is the SMILES notation for [(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane?
The canonical SMILES for [(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane is CCCC/C(=C(\CC)B(CC)CC)[Sn](C)(C)C.
What is the InChIKey of [(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane?
The InChIKey is IAHFEQMSCGCVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24B.3CH3.Sn/c1-5-9-10-11-12(6-2)13(7-3)8-4;;;;/h5-10H2,1-4H3;3*1H3;.
What are the key properties of [(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane?
[(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane has a molecular weight of 342.95 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane is sourced from PubChem (CID 14917780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).