bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane

C36H70B2Si2Sn — CID 15495139

IUPACbis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane
SMILESCCB(CC)C1=C(CCC(C)C)[Si](C)(C)C([Sn](C)(C)C2=C(CC)C(B(CC)CC)=C(CCC(C)C)[Si]2(C)C)=C1CC
InChIInChI=1S/2C17H32BSi.2CH3.Sn/c2*1-8-15-13-19(6,7)16(12-11-14(4)5)17(15)18(9-2)10-3;;;/h2*14H,8-12H2,1-7H3;2*1H3;
InChIKeyXYBFTWPESQRDFF-UHFFFAOYSA-N
MW699.46 g/mol
LogP12.40
Rot. Bonds16

About bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane

bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane (PubChem CID 15495139) has the molecular formula C36H70B2Si2Sn and a molecular weight of 699.46 g/mol. Its IUPAC name is bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane.

Molecular Properties

Compound Namebis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane
PubChem CID15495139
Molecular FormulaC36H70B2Si2Sn
Molecular Weight699.46 g/mol
Exact Mass700.42
IUPAC Namebis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane
SMILESCCB(CC)C1=C(CCC(C)C)[Si](C)(C)C([Sn](C)(C)C2=C(CC)C(B(CC)CC)=C(CCC(C)C)[Si]2(C)C)=C1CC
InChIInChI=1S/2C17H32BSi.2CH3.Sn/c2*1-8-15-13-19(6,7)16(12-11-14(4)5)17(15)18(9-2)10-3;;;/h2*14H,8-12H2,1-7H3;2*1H3;
InChIKeyXYBFTWPESQRDFF-UHFFFAOYSA-N
XLogP12.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.46
LogP ≤ 512.40
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

1-Silacyclopentadiene, 3-(diethylboryl)-4-ethyl-1,1-dimethyl-2-(3-methylbutyl)-5-trimethylstannyl-
CID 634639
Diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane
CID 15151073
Bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
CID 15495137
Bis(5-tert-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
CID 15495138
[3-Diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane
CID 15495149
Diethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane
CID 177411032

Frequently Asked Questions

What is the IUPAC name of bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane?
The IUPAC name of bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane (CID 15495139) is bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane.
What is the SMILES notation for bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane?
The canonical SMILES for bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane is CCB(CC)C1=C(CCC(C)C)[Si](C)(C)C([Sn](C)(C)C2=C(CC)C(B(CC)CC)=C(CCC(C)C)[Si]2(C)C)=C1CC.
What is the InChIKey of bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane?
The InChIKey is XYBFTWPESQRDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H32BSi.2CH3.Sn/c2*1-8-15-13-19(6,7)16(12-11-14(4)5)17(15)18(9-2)10-3;;;/h2*14H,8-12H2,1-7H3;2*1H3;.
What are the key properties of bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane?
bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane has a molecular weight of 699.46 g/mol, XLogP of 12.40, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane is sourced from PubChem (CID 15495139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).