(2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal

C20H28O2 — CID 11066536

IUPAC(2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal
SMILESCC(C)=CCC/C(C)=C/CC/C(C=O)=C\CCc1ccoc1
InChIInChI=1S/C20H28O2/c1-17(2)7-4-8-18(3)9-5-10-19(15-21)11-6-12-20-13-14-22-16-20/h7,9,11,13-16H,4-6,8,10,12H2,1-3H3/b18-9+,19-11+
InChIKeyZLSZDAIXQRVXSG-ZYCAGONGSA-N
MW300.44 g/mol
LogP5.81
Rot. Bonds10

About (2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal

(2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal (PubChem CID 11066536) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is (2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal.

Molecular Properties

Compound Name(2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal
PubChem CID11066536
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name(2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal
SMILESCC(C)=CCC/C(C)=C/CC/C(C=O)=C\CCc1ccoc1
InChIInChI=1S/C20H28O2/c1-17(2)7-4-8-18(3)9-5-10-19(15-21)11-6-12-20-13-14-22-16-20/h7,9,11,13-16H,4-6,8,10,12H2,1-3H3/b18-9+,19-11+
InChIKeyZLSZDAIXQRVXSG-ZYCAGONGSA-N
XLogP5.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal?
The IUPAC name of (2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal (CID 11066536) is (2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal.
What is the SMILES notation for (2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal?
The canonical SMILES for (2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal is CC(C)=CCC/C(C)=C/CC/C(C=O)=C\CCc1ccoc1.
What is the InChIKey of (2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal?
The InChIKey is ZLSZDAIXQRVXSG-ZYCAGONGSA-N. The full InChI is InChI=1S/C20H28O2/c1-17(2)7-4-8-18(3)9-5-10-19(15-21)11-6-12-20-13-14-22-16-20/h7,9,11,13-16H,4-6,8,10,12H2,1-3H3/b18-9+,19-11+.
What are the key properties of (2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal?
(2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal has a molecular weight of 300.44 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2-[3-(furan-3-yl)propylidene]-6,10-dimethylundeca-5,9-dienal is sourced from PubChem (CID 11066536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).