[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane

C20H42B2Sn — CID 134906366

IUPAC[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane
SMILESCCB(CC)[C@@]1(CC)C(C)=C(C)[C@@](CC)(B(CC)CC)[Sn]1(C)C
InChIInChI=1S/C18H36B2.2CH3.Sn/c1-9-17(19(11-3)12-4)15(7)16(8)18(10-2)20(13-5)14-6;;;/h9-14H2,1-8H3;2*1H3;/b16-15-;;;
InChIKeyHDEGXRSYTJLXFI-SWJSCKDZSA-N
MW422.89 g/mol
LogP7.49
Rot. Bonds8

About [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane

[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane (PubChem CID 134906366) has the molecular formula C20H42B2Sn and a molecular weight of 422.89 g/mol. Its IUPAC name is [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane.

Molecular Properties

Compound Name[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane
PubChem CID134906366
Molecular FormulaC20H42B2Sn
Molecular Weight422.89 g/mol
Exact Mass424.25
IUPAC Name[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane
SMILESCCB(CC)[C@@]1(CC)C(C)=C(C)[C@@](CC)(B(CC)CC)[Sn]1(C)C
InChIInChI=1S/C18H36B2.2CH3.Sn/c1-9-17(19(11-3)12-4)15(7)16(8)18(10-2)20(13-5)14-6;;;/h9-14H2,1-8H3;2*1H3;/b16-15-;;;
InChIKeyHDEGXRSYTJLXFI-SWJSCKDZSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.89
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane
CID 13227106
[(2S,5R)-5-diethylboranyl-2,3,4,5-tetraethyl-1,1-dimethylstannol-2-yl]-diethylborane
CID 21598080
tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane
CID 134904028
[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dioctylstannol-2-yl]-diethylborane
CID 134906397
[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane
CID 134906561
(5-Dimethylboranyl-1,1,2,3,4,5-hexamethylstannol-2-yl)-dimethylborane
CID 12415442
(5-Diethylboranyl-1,1,2,4-tetraethyl-3,5-dimethylstannol-2-yl)-diethylborane
CID 12415444
bis[(E)-3-diethylboranylhept-3-en-4-yl]-dimethylstannane
CID 21598064
bis[(E)-3-diethylboranyloct-3-en-4-yl]-dimethylstannane
CID 21598065
Diethyl-(4-ethyl-1,1-dimethyl-2,5-dipropylstannol-3-yl)borane
CID 21598072
(2,5-Dibutyl-4-ethyl-1,1-dimethylstannol-3-yl)-diethylborane
CID 21598075
[(2S,5R)-5-diethylboranyl-2,4-diethyl-1,1,3,5-tetramethylstannol-2-yl]-diethylborane
CID 21598079

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane?
The IUPAC name of [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane (CID 134906366) is [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane.
What is the SMILES notation for [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane?
The canonical SMILES for [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane is CCB(CC)[C@@]1(CC)C(C)=C(C)[C@@](CC)(B(CC)CC)[Sn]1(C)C.
What is the InChIKey of [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane?
The InChIKey is HDEGXRSYTJLXFI-SWJSCKDZSA-N. The full InChI is InChI=1S/C18H36B2.2CH3.Sn/c1-9-17(19(11-3)12-4)15(7)16(8)18(10-2)20(13-5)14-6;;;/h9-14H2,1-8H3;2*1H3;/b16-15-;;;.
What are the key properties of [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane?
[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane has a molecular weight of 422.89 g/mol, XLogP of 7.49, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane is sourced from PubChem (CID 134906366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).