1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene

C20H26O — CID 131752881

IUPAC1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene
SMILESC=C/C(C)=C\C(C=C(C)C)C/C=C\c1ccc(OC)cc1
InChIInChI=1S/C20H26O/c1-6-17(4)15-19(14-16(2)3)9-7-8-18-10-12-20(21-5)13-11-18/h6-8,10-15,19H,1,9H2,2-5H3/b8-7-,17-15-
InChIKeyFNNVIJKTAGXPFS-DMMNKWGDSA-N
MW282.43 g/mol
LogP5.81
Rot. Bonds7

About 1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene

1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene (PubChem CID 131752881) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene
PubChem CID131752881
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene
SMILESC=C/C(C)=C\C(C=C(C)C)C/C=C\c1ccc(OC)cc1
InChIInChI=1S/C20H26O/c1-6-17(4)15-19(14-16(2)3)9-7-8-18-10-12-20(21-5)13-11-18/h6-8,10-15,19H,1,9H2,2-5H3/b8-7-,17-15-
InChIKeyFNNVIJKTAGXPFS-DMMNKWGDSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene?
The IUPAC name of 1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene (CID 131752881) is 1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene?
The canonical SMILES for 1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene is C=C/C(C)=C\C(C=C(C)C)C/C=C\c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene?
The InChIKey is FNNVIJKTAGXPFS-DMMNKWGDSA-N. The full InChI is InChI=1S/C20H26O/c1-6-17(4)15-19(14-16(2)3)9-7-8-18-10-12-20(21-5)13-11-18/h6-8,10-15,19H,1,9H2,2-5H3/b8-7-,17-15-.
What are the key properties of 1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene?
1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene has a molecular weight of 282.43 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1Z,5Z)-6-methyl-4-(2-methylprop-1-enyl)octa-1,5,7-trienyl]benzene is sourced from PubChem (CID 131752881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).