diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane

C12H25BSn — CID 135048460

IUPACdiethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane
SMILESCCB(CC)C1=C(CC)C[Sn](C)(C)C1
InChIInChI=1S/C10H19B.2CH3.Sn/c1-6-9(4)10(5)11(7-2)8-3;;;/h4-8H2,1-3H3;2*1H3;/b10-9-;;;
InChIKeyPYFAZXIKJJBOPB-BZKIHGKGSA-N
MW298.85 g/mol
LogP4.49
Rot. Bonds4

About diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane

diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane (PubChem CID 135048460) has the molecular formula C12H25BSn and a molecular weight of 298.85 g/mol. Its IUPAC name is diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane.

Molecular Properties

Compound Namediethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane
PubChem CID135048460
Molecular FormulaC12H25BSn
Molecular Weight298.85 g/mol
Exact Mass300.11
IUPAC Namediethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane
SMILESCCB(CC)C1=C(CC)C[Sn](C)(C)C1
InChIInChI=1S/C10H19B.2CH3.Sn/c1-6-9(4)10(5)11(7-2)8-3;;;/h4-8H2,1-3H3;2*1H3;/b10-9-;;;
InChIKeyPYFAZXIKJJBOPB-BZKIHGKGSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.85
LogP ≤ 54.49
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
(3,4-Diethyl-1,1-dimethyl-2,5-dihydrostannol-2-yl)-trimethylstannane
CID 15798780
3-Diethylboranylpent-2-en-2-yl(trimethyl)stannane
CID 534929
Borane, diethyl(1-ethyl-2-methyl-1-butenyl)-, (Z)-
CID 5362753
4,5-Diethyl-1,3-dimethyl-2-propan-2-ylidene-1,3-diborole
CID 14292377
Diethyl [(e)-1-ethyl-2-methyl-1-butenyl]borane
CID 15152785
2,4-Dimethylpent-2-en-3-yl-di(propan-2-yl)borane
CID 20767005
2,4-Dimethylpent-2-en-3-yl(dimethyl)borane
CID 20775189
CID 123249576
CID 123249576
CID 123817860
CID 123817860

Frequently Asked Questions

What is the IUPAC name of diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane?
The IUPAC name of diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane (CID 135048460) is diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane.
What is the SMILES notation for diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane?
The canonical SMILES for diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane is CCB(CC)C1=C(CC)C[Sn](C)(C)C1.
What is the InChIKey of diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane?
The InChIKey is PYFAZXIKJJBOPB-BZKIHGKGSA-N. The full InChI is InChI=1S/C10H19B.2CH3.Sn/c1-6-9(4)10(5)11(7-2)8-3;;;/h4-8H2,1-3H3;2*1H3;/b10-9-;;;.
What are the key properties of diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane?
diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane has a molecular weight of 298.85 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane is sourced from PubChem (CID 135048460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).