(5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one

C20H38O2SiSn — CID 10884958

IUPAC(5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one
SMILESCCCC[Sn](/C=C1/OC(=O)C=C1[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C8H11O2Si.3C4H9.Sn/c1-6-7(11(2,3)4)5-8(9)10-6;3*1-3-4-2;/h1,5H,2-4H3;3*1,3-4H2,2H3;
InChIKeyUQDTUZSEORCGHY-UHFFFAOYSA-N
MW457.32 g/mol
LogP6.62
Rot. Bonds11

About (5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one

(5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one (PubChem CID 10884958) has the molecular formula C20H38O2SiSn and a molecular weight of 457.32 g/mol. Its IUPAC name is (5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one.

Molecular Properties

Compound Name(5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one
PubChem CID10884958
Molecular FormulaC20H38O2SiSn
Molecular Weight457.32 g/mol
Exact Mass458.17
IUPAC Name(5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one
SMILESCCCC[Sn](/C=C1/OC(=O)C=C1[Si](C)(C)C)(CCCC)CCCC
InChIInChI=1S/C8H11O2Si.3C4H9.Sn/c1-6-7(11(2,3)4)5-8(9)10-6;3*1-3-4-2;/h1,5H,2-4H3;3*1,3-4H2,2H3;
InChIKeyUQDTUZSEORCGHY-UHFFFAOYSA-N
XLogP6.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.32
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-(3-oxo-2-trimethylsilylprop-2-enylidene)-3-trimethylsilylfuran-2-one
CID 134988736
(5Z)-5-[(2E,4E)-5-trimethylsilylpenta-2,4-dienylidene]furan-2-one
CID 101146580
5-Methylidene-3,4-bis(trimethylsilyl)furan-2-one
CID 10657709
(5E)-5-(trimethylsilylmethylidene)furan-2-one
CID 101024473
(5Z)-5-(trimethylsilylmethylidene)furan-2-one
CID 101024474
5-Methylidene-4-trimethylsilylfuran-2-one
CID 101024477

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one?
The IUPAC name of (5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one (CID 10884958) is (5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one.
What is the SMILES notation for (5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one?
The canonical SMILES for (5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one is CCCC[Sn](/C=C1/OC(=O)C=C1[Si](C)(C)C)(CCCC)CCCC.
What is the InChIKey of (5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one?
The InChIKey is UQDTUZSEORCGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2Si.3C4H9.Sn/c1-6-7(11(2,3)4)5-8(9)10-6;3*1-3-4-2;/h1,5H,2-4H3;3*1,3-4H2,2H3;.
What are the key properties of (5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one?
(5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one has a molecular weight of 457.32 g/mol, XLogP of 6.62, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(tributylstannylmethylidene)-4-trimethylsilylfuran-2-one is sourced from PubChem (CID 10884958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).