(3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one

C21H26O3 — CID 15625486

IUPAC(3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one
SMILESC/C(=C\C(=O)C/C(C)=C/CCc1ccoc1)CCCc1ccoc1
InChIInChI=1S/C21H26O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,14-16H,3-4,6-8,13H2,1-2H3/b17-5+,18-14+
InChIKeyHAETXMBDLLFIOV-FQYYDQKYSA-N
MW326.44 g/mol
LogP5.68
Rot. Bonds10

About (3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one

(3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one (PubChem CID 15625486) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is (3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one.

Molecular Properties

Compound Name(3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one
PubChem CID15625486
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Name(3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one
SMILESC/C(=C\C(=O)C/C(C)=C/CCc1ccoc1)CCCc1ccoc1
InChIInChI=1S/C21H26O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,14-16H,3-4,6-8,13H2,1-2H3/b17-5+,18-14+
InChIKeyHAETXMBDLLFIOV-FQYYDQKYSA-N
XLogP5.68
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one with MolForge

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Launch Full Analysis

Related Compounds

9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one
CID 579311
(5Z)-9-(furan-3-yl)-2,6-dimethylnona-2,5-dien-4-one
CID 5371289
3-(4,8-dimethylpentadeca-3,7-dienyl)furan
CID 74218572
(2Z,7E,11E)-14-(furan-3-yl)-3-(hydroxymethyl)-7,11-dimethyltetradeca-2,7,11-trienoic acid
CID 25158445
3-(4,8,12,16,20-pentamethylhenicosa-3,7,11,15-tetraenyl)furan
CID 123833340
3-[(3E)-4,8-dimethylnona-3,7-dienyl]furan
CID 5316534
3-[(3E,7E,11E,15E,19E)-4,8,12,16,20,22-hexamethyltricosa-3,7,11,15,19,21-hexaenyl]furan
CID 89431414
3-(4,8,12,16-tetramethylhenicosa-3,7,11,15,19-pentaenyl)furan
CID 123177359
(6E,10S,14E)-17-(furan-3-yl)-2,6,10,14-tetramethylheptadeca-6,14-diene-4,12-dione
CID 11280638
3-(4,8,12,16-tetramethylnonadeca-3,7,11,15-tetraen-18-ynyl)furan
CID 123470713
3-[(3E,7E,11E,15E,19E)-4,8,12,16,20-pentamethyltetracosa-3,7,11,15,19-pentaen-23-ynyl]furan
CID 89431367
3-(4,8,12,16-tetramethylicosa-3,7,11,15,18-pentaenyl)furan
CID 123271436

Frequently Asked Questions

What is the IUPAC name of (3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one?
The IUPAC name of (3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one (CID 15625486) is (3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one.
What is the SMILES notation for (3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one?
The canonical SMILES for (3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one is C/C(=C\C(=O)C/C(C)=C/CCc1ccoc1)CCCc1ccoc1.
What is the InChIKey of (3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one?
The InChIKey is HAETXMBDLLFIOV-FQYYDQKYSA-N. The full InChI is InChI=1S/C21H26O3/c1-17(5-3-7-19-9-11-23-15-19)13-21(22)14-18(2)6-4-8-20-10-12-24-16-20/h5,9-12,14-16H,3-4,6-8,13H2,1-2H3/b17-5+,18-14+.
What are the key properties of (3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one?
(3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one has a molecular weight of 326.44 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,7E)-1,11-bis(furan-3-yl)-4,8-dimethylundeca-3,7-dien-6-one is sourced from PubChem (CID 15625486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).