5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran

C21H24Cl2O — CID 134495548

IUPAC5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran
SMILESC=C(CC/C=C(\C)CCC=C(C)C)c1cc2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C21H24Cl2O/c1-14(2)7-5-8-15(3)9-6-10-16(4)20-12-17-11-18(22)19(23)13-21(17)24-20/h7,9,11-13H,4-6,8,10H2,1-3H3/b15-9+
InChIKeyXVDYHOHRZNPFNW-OQLLNIDSSA-N
MW363.33 g/mol
LogP8.23
Rot. Bonds7

About 5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran

5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran (PubChem CID 134495548) has the molecular formula C21H24Cl2O and a molecular weight of 363.33 g/mol. Its IUPAC name is 5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran.

Molecular Properties

Compound Name5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran
PubChem CID134495548
Molecular FormulaC21H24Cl2O
Molecular Weight363.33 g/mol
Exact Mass362.12
IUPAC Name5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran
SMILESC=C(CC/C=C(\C)CCC=C(C)C)c1cc2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C21H24Cl2O/c1-14(2)7-5-8-15(3)9-6-10-16(4)20-12-17-11-18(22)19(23)13-21(17)24-20/h7,9,11-13H,4-6,8,10H2,1-3H3/b15-9+
InChIKeyXVDYHOHRZNPFNW-OQLLNIDSSA-N
XLogP8.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.33
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran?
The IUPAC name of 5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran (CID 134495548) is 5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran.
What is the SMILES notation for 5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran?
The canonical SMILES for 5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran is C=C(CC/C=C(\C)CCC=C(C)C)c1cc2cc(Cl)c(Cl)cc2o1.
What is the InChIKey of 5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran?
The InChIKey is XVDYHOHRZNPFNW-OQLLNIDSSA-N. The full InChI is InChI=1S/C21H24Cl2O/c1-14(2)7-5-8-15(3)9-6-10-16(4)20-12-17-11-18(22)19(23)13-21(17)24-20/h7,9,11-13H,4-6,8,10H2,1-3H3/b15-9+.
What are the key properties of 5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran?
5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran has a molecular weight of 363.33 g/mol, XLogP of 8.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-1-benzofuran is sourced from PubChem (CID 134495548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).