(E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal

C17H16GeO4 — CID 11314303

IUPAC(E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal
SMILESC/C(=C\C=O)C[Ge](c1ccco1)(c1ccco1)c1ccco1
InChIInChI=1S/C17H16GeO4/c1-14(8-9-19)13-18(15-5-2-10-20-15,16-6-3-11-21-16)17-7-4-12-22-17/h2-12H,13H2,1H3/b14-8+
InChIKeyZTPCPGQUKRJARI-RIYZIHGNSA-N
MW356.92 g/mol
LogP2.08
Rot. Bonds6

About (E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal

(E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal (PubChem CID 11314303) has the molecular formula C17H16GeO4 and a molecular weight of 356.92 g/mol. Its IUPAC name is (E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal.

Molecular Properties

Compound Name(E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal
PubChem CID11314303
Molecular FormulaC17H16GeO4
Molecular Weight356.92 g/mol
Exact Mass358.03
IUPAC Name(E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal
SMILESC/C(=C\C=O)C[Ge](c1ccco1)(c1ccco1)c1ccco1
InChIInChI=1S/C17H16GeO4/c1-14(8-9-19)13-18(15-5-2-10-20-15,16-6-3-11-21-16)17-7-4-12-22-17/h2-12H,13H2,1H3/b14-8+
InChIKeyZTPCPGQUKRJARI-RIYZIHGNSA-N
XLogP2.08
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal?
The IUPAC name of (E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal (CID 11314303) is (E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal.
What is the SMILES notation for (E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal?
The canonical SMILES for (E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal is C/C(=C\C=O)C[Ge](c1ccco1)(c1ccco1)c1ccco1.
What is the InChIKey of (E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal?
The InChIKey is ZTPCPGQUKRJARI-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H16GeO4/c1-14(8-9-19)13-18(15-5-2-10-20-15,16-6-3-11-21-16)17-7-4-12-22-17/h2-12H,13H2,1H3/b14-8+.
What are the key properties of (E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal?
(E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal has a molecular weight of 356.92 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-[tris(furan-2-yl)germyl]but-2-enal is sourced from PubChem (CID 11314303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).