trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane

C18H39BSn2 — CID 13227106

IUPACtrimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane
SMILESCCB1C(CC)([Sn](C)(C)C)C(C)=C(C)C1(CC)[Sn](C)(C)C
InChIInChI=1S/C12H21B.6CH3.2Sn/c1-6-11-9(4)10(5)12(7-2)13(11)8-3;;;;;;;;/h6-8H2,1-5H3;6*1H3;;
InChIKeyPLULCCDFQPLBCC-UHFFFAOYSA-N
MW503.74 g/mol
LogP6.91
Rot. Bonds5

About trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane

trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane (PubChem CID 13227106) has the molecular formula C18H39BSn2 and a molecular weight of 503.74 g/mol. Its IUPAC name is trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane.

Molecular Properties

Compound Nametrimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane
PubChem CID13227106
Molecular FormulaC18H39BSn2
Molecular Weight503.74 g/mol
Exact Mass506.12
IUPAC Nametrimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane
SMILESCCB1C(CC)([Sn](C)(C)C)C(C)=C(C)C1(CC)[Sn](C)(C)C
InChIInChI=1S/C12H21B.6CH3.2Sn/c1-6-11-9(4)10(5)12(7-2)13(11)8-3;;;;;;;;/h6-8H2,1-5H3;6*1H3;;
InChIKeyPLULCCDFQPLBCC-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.74
LogP ≤ 56.91
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'}

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Related Compounds

[(E)-3-diethylboranyloct-3-en-4-yl]-trimethylstannane
CID 14917780
[(2S,5R)-5-diethylboranyl-2,3,4,5-tetraethyl-1,1-dimethylstannol-2-yl]-diethylborane
CID 21598080
(5-Methyl-4-octen-4-yl)dipropylborane
CID 129811697
tributyl-[(Z)-3-diethylboranyloct-3-en-4-yl]stannane
CID 134904028
[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1,3,4-tetramethylstannol-2-yl]-diethylborane
CID 134906366
[(2S,5R)-5-diethylboranyl-2,5-diethyl-1,1-dimethyl-3,4-dipropylstannol-2-yl]-diethylborane
CID 134906561
Diethyl-(4-ethyl-1,1-dimethyl-2,5-dihydrostannol-3-yl)borane
CID 135048460
2,6-Dibutyl-1,1-dimethyl-3,4,5-tri(propan-2-yl)-1,4-stannaborinine
CID 21598095
2,3,5,6,8,9,11,12-Octamethyltrideca-2,5,8,11-tetraene
CID 59973496
Tributyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)stannane
CID 85732403
(Z)-4,5-dimethyloct-4-ene;ethane;propane
CID 142299332
(2,5-Ditert-butyl-4-ethyl-1,1-dimethylstannol-3-yl)-diethylborane
CID 12412362

Frequently Asked Questions

What is the IUPAC name of trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane?
The IUPAC name of trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane (CID 13227106) is trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane.
What is the SMILES notation for trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane?
The canonical SMILES for trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane is CCB1C(CC)([Sn](C)(C)C)C(C)=C(C)C1(CC)[Sn](C)(C)C.
What is the InChIKey of trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane?
The InChIKey is PLULCCDFQPLBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21B.6CH3.2Sn/c1-6-11-9(4)10(5)12(7-2)13(11)8-3;;;;;;;;/h6-8H2,1-5H3;6*1H3;;.
What are the key properties of trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane?
trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane has a molecular weight of 503.74 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(1,2,5-triethyl-3,4-dimethyl-5-trimethylstannylborol-2-yl)stannane is sourced from PubChem (CID 13227106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).