(3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane

C32H67BSi2Sn — CID 154716773

IUPAC(3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane
SMILESCCCCCCCC[Sn]1(CCCCCCCC)C([Si](C)(C)C)=C(CC)C(B(CC)CC)=C1[Si](C)(C)C
InChIInChI=1S/C16H33BSi2.2C8H17.Sn/c1-10-15(13-18(4,5)6)16(14-19(7,8)9)17(11-2)12-3;2*1-3-5-7-8-6-4-2;/h10-12H2,1-9H3;2*1,3-8H2,2H3;
InChIKeyMWGAHOLNGDAARN-UHFFFAOYSA-N
MW637.58 g/mol
LogP12.08
Rot. Bonds20

About (3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane

(3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane (PubChem CID 154716773) has the molecular formula C32H67BSi2Sn and a molecular weight of 637.58 g/mol. Its IUPAC name is (3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane
PubChem CID154716773
Molecular FormulaC32H67BSi2Sn
Molecular Weight637.58 g/mol
Exact Mass638.39
IUPAC Name(3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane
SMILESCCCCCCCC[Sn]1(CCCCCCCC)C([Si](C)(C)C)=C(CC)C(B(CC)CC)=C1[Si](C)(C)C
InChIInChI=1S/C16H33BSi2.2C8H17.Sn/c1-10-15(13-18(4,5)6)16(14-19(7,8)9)17(11-2)12-3;2*1-3-5-7-8-6-4-2;/h10-12H2,1-9H3;2*1,3-8H2,2H3;
InChIKeyMWGAHOLNGDAARN-UHFFFAOYSA-N
XLogP12.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.58
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane?
The IUPAC name of (3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane (CID 154716773) is (3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane.
What is the SMILES notation for (3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane?
The canonical SMILES for (3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane is CCCCCCCC[Sn]1(CCCCCCCC)C([Si](C)(C)C)=C(CC)C(B(CC)CC)=C1[Si](C)(C)C.
What is the InChIKey of (3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane?
The InChIKey is MWGAHOLNGDAARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33BSi2.2C8H17.Sn/c1-10-15(13-18(4,5)6)16(14-19(7,8)9)17(11-2)12-3;2*1-3-5-7-8-6-4-2;/h10-12H2,1-9H3;2*1,3-8H2,2H3;.
What are the key properties of (3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane?
(3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane has a molecular weight of 637.58 g/mol, XLogP of 12.08, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diethylboranyl-4-ethyl-1,1-dioctyl-5-trimethylsilylstannol-2-yl)-trimethylsilane is sourced from PubChem (CID 154716773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).