methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate

C27H54O2SiSn — CID 177398531

IUPACmethyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\[Si](C)(C)C)CC[C@H](C)/C=C/CCC(=O)OC
InChIInChI=1S/C15H27O2Si.3C4H9.Sn/c1-14(10-6-7-12-15(16)17-2)11-8-9-13-18(3,4)5;3*1-3-4-2;/h6,10,13-14H,7-8,11-12H2,1-5H3;3*1,3-4H2,2H3;/b10-6+,13-9?;;;;/t14-;;;;/m1..../s1
InChIKeyJZBAKGAXKDYGKN-JEKKVWOLSA-N
MW557.52 g/mol
LogP9.10
Rot. Bonds18

About methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate

methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate (PubChem CID 177398531) has the molecular formula C27H54O2SiSn and a molecular weight of 557.52 g/mol. Its IUPAC name is methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate.

Molecular Properties

Compound Namemethyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate
PubChem CID177398531
Molecular FormulaC27H54O2SiSn
Molecular Weight557.52 g/mol
Exact Mass558.29
IUPAC Namemethyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C\[Si](C)(C)C)CC[C@H](C)/C=C/CCC(=O)OC
InChIInChI=1S/C15H27O2Si.3C4H9.Sn/c1-14(10-6-7-12-15(16)17-2)11-8-9-13-18(3,4)5;3*1-3-4-2;/h6,10,13-14H,7-8,11-12H2,1-5H3;3*1,3-4H2,2H3;/b10-6+,13-9?;;;;/t14-;;;;/m1..../s1
InChIKeyJZBAKGAXKDYGKN-JEKKVWOLSA-N
XLogP9.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.52
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate?
The IUPAC name of methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate (CID 177398531) is methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate.
What is the SMILES notation for methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate?
The canonical SMILES for methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate is CCCC[Sn](CCCC)(CCCC)/C(=C\[Si](C)(C)C)CC[C@H](C)/C=C/CCC(=O)OC.
What is the InChIKey of methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate?
The InChIKey is JZBAKGAXKDYGKN-JEKKVWOLSA-N. The full InChI is InChI=1S/C15H27O2Si.3C4H9.Sn/c1-14(10-6-7-12-15(16)17-2)11-8-9-13-18(3,4)5;3*1-3-4-2;/h6,10,13-14H,7-8,11-12H2,1-5H3;3*1,3-4H2,2H3;/b10-6+,13-9?;;;;/t14-;;;;/m1..../s1.
What are the key properties of methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate?
methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate has a molecular weight of 557.52 g/mol, XLogP of 9.10, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E,6S,9Z)-6-methyl-9-tributylstannyl-10-trimethylsilyldeca-4,9-dienoate is sourced from PubChem (CID 177398531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).