2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene

C20H22O — CID 89304880

IUPAC2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene
SMILESC=C/C(=C\C=C(/C)C(C)C)C1=CC(=C)c2ccccc2O1
InChIInChI=1S/C20H22O/c1-6-17(12-11-15(4)14(2)3)20-13-16(5)18-9-7-8-10-19(18)21-20/h6-14H,1,5H2,2-4H3/b15-11+,17-12+
InChIKeyKEMOHSWMKPVFNE-SSZXNVRRSA-N
MW278.40 g/mol
LogP5.69
Rot. Bonds4

About 2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene

2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene (PubChem CID 89304880) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene.

Molecular Properties

Compound Name2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene
PubChem CID89304880
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene
SMILESC=C/C(=C\C=C(/C)C(C)C)C1=CC(=C)c2ccccc2O1
InChIInChI=1S/C20H22O/c1-6-17(12-11-15(4)14(2)3)20-13-16(5)18-9-7-8-10-19(18)21-20/h6-14H,1,5H2,2-4H3/b15-11+,17-12+
InChIKeyKEMOHSWMKPVFNE-SSZXNVRRSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Estragole
CID 8815
Xanthene
CID 7107
Thymyl methyl ether
CID 14104
4-Propylanisole
CID 7702
2-Methylanisole
CID 33637
o-Cresyl acetate
CID 10778
4-Methylcoumarin
CID 11833
Carvacryl methyl ether
CID 80790
Dihydrobenzofuran
CID 10329
o-CRESYL GLYCIDYL ETHER
CID 16640
Jwh 133
CID 6918505
Carvacryl ethyl ether
CID 527268

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene?
The IUPAC name of 2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene (CID 89304880) is 2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene.
What is the SMILES notation for 2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene?
The canonical SMILES for 2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene is C=C/C(=C\C=C(/C)C(C)C)C1=CC(=C)c2ccccc2O1.
What is the InChIKey of 2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene?
The InChIKey is KEMOHSWMKPVFNE-SSZXNVRRSA-N. The full InChI is InChI=1S/C20H22O/c1-6-17(12-11-15(4)14(2)3)20-13-16(5)18-9-7-8-10-19(18)21-20/h6-14H,1,5H2,2-4H3/b15-11+,17-12+.
What are the key properties of 2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene?
2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene has a molecular weight of 278.40 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]-4-methylidenechromene is sourced from PubChem (CID 89304880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).