3-diethylboranylpent-2-en-2-yl(trimethyl)stannane

C12H27BSn — CID 534929

IUPAC3-diethylboranylpent-2-en-2-yl(trimethyl)stannane
SMILESCCB(CC)C(CC)=C(C)[Sn](C)(C)C
InChIInChI=1S/C9H18B.3CH3.Sn/c1-5-9(6-2)10(7-3)8-4;;;;/h5,7-8H2,1-4H3;3*1H3;
InChIKeyPIHIMIQGVTTXOI-UHFFFAOYSA-N
MW300.87 g/mol
LogP4.66
Rot. Bonds5

About 3-diethylboranylpent-2-en-2-yl(trimethyl)stannane

3-diethylboranylpent-2-en-2-yl(trimethyl)stannane (PubChem CID 534929) has the molecular formula C12H27BSn and a molecular weight of 300.87 g/mol. Its IUPAC name is 3-diethylboranylpent-2-en-2-yl(trimethyl)stannane.

Molecular Properties

Compound Name3-diethylboranylpent-2-en-2-yl(trimethyl)stannane
PubChem CID534929
Molecular FormulaC12H27BSn
Molecular Weight300.87 g/mol
Exact Mass302.12
IUPAC Name3-diethylboranylpent-2-en-2-yl(trimethyl)stannane
SMILESCCB(CC)C(CC)=C(C)[Sn](C)(C)C
InChIInChI=1S/C9H18B.3CH3.Sn/c1-5-9(6-2)10(7-3)8-4;;;;/h5,7-8H2,1-4H3;3*1H3;
InChIKeyPIHIMIQGVTTXOI-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.87
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diethylboranylpent-2-en-2-yl(trimethyl)stannane?
The IUPAC name of 3-diethylboranylpent-2-en-2-yl(trimethyl)stannane (CID 534929) is 3-diethylboranylpent-2-en-2-yl(trimethyl)stannane.
What is the SMILES notation for 3-diethylboranylpent-2-en-2-yl(trimethyl)stannane?
The canonical SMILES for 3-diethylboranylpent-2-en-2-yl(trimethyl)stannane is CCB(CC)C(CC)=C(C)[Sn](C)(C)C.
What is the InChIKey of 3-diethylboranylpent-2-en-2-yl(trimethyl)stannane?
The InChIKey is PIHIMIQGVTTXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18B.3CH3.Sn/c1-5-9(6-2)10(7-3)8-4;;;;/h5,7-8H2,1-4H3;3*1H3;.
What are the key properties of 3-diethylboranylpent-2-en-2-yl(trimethyl)stannane?
3-diethylboranylpent-2-en-2-yl(trimethyl)stannane has a molecular weight of 300.87 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethylboranylpent-2-en-2-yl(trimethyl)stannane is sourced from PubChem (CID 534929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).