trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane

C22H48SiSn — CID 11431062

IUPACtrimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane
SMILESCCCC/C=C(\C[Sn](CCCC)(CCCC)CCCC)[Si](C)(C)C
InChIInChI=1S/C10H21Si.3C4H9.Sn/c1-6-7-8-9-10(2)11(3,4)5;3*1-3-4-2;/h9H,2,6-8H2,1,3-5H3;3*1,3-4H2,2H3;/b10-9+;;;;
InChIKeyINGXPCJFFATPEO-GWIKJDHCSA-N
MW459.42 g/mol
LogP8.83
Rot. Bonds15

About trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane

trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane (PubChem CID 11431062) has the molecular formula C22H48SiSn and a molecular weight of 459.42 g/mol. Its IUPAC name is trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane
PubChem CID11431062
Molecular FormulaC22H48SiSn
Molecular Weight459.42 g/mol
Exact Mass460.25
IUPAC Nametrimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane
SMILESCCCC/C=C(\C[Sn](CCCC)(CCCC)CCCC)[Si](C)(C)C
InChIInChI=1S/C10H21Si.3C4H9.Sn/c1-6-7-8-9-10(2)11(3,4)5;3*1-3-4-2;/h9H,2,6-8H2,1,3-5H3;3*1,3-4H2,2H3;/b10-9+;;;;
InChIKeyINGXPCJFFATPEO-GWIKJDHCSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.42
LogP ≤ 58.83
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 trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane?
The IUPAC name of trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane (CID 11431062) is trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane.
What is the SMILES notation for trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane?
The canonical SMILES for trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane is CCCC/C=C(\C[Sn](CCCC)(CCCC)CCCC)[Si](C)(C)C.
What is the InChIKey of trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane?
The InChIKey is INGXPCJFFATPEO-GWIKJDHCSA-N. The full InChI is InChI=1S/C10H21Si.3C4H9.Sn/c1-6-7-8-9-10(2)11(3,4)5;3*1-3-4-2;/h9H,2,6-8H2,1,3-5H3;3*1,3-4H2,2H3;/b10-9+;;;;.
What are the key properties of trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane?
trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane has a molecular weight of 459.42 g/mol, XLogP of 8.83, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-1-tributylstannylhept-2-en-2-yl]silane is sourced from PubChem (CID 11431062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).