[6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene

C23H28 — CID 173364343

IUPAC[6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene
SMILESC=C(C)C=CCC(C=CC(=C)c1ccccc1)=C(C)C=CCC
InChIInChI=1S/C23H28/c1-6-7-13-20(4)23(16-11-12-19(2)3)18-17-21(5)22-14-9-8-10-15-22/h7-15,17-18H,2,5-6,16H2,1,3-4H3
InChIKeyADIVLHXSHVSDIW-UHFFFAOYSA-N
MW304.48 g/mol
LogP7.06
Rot. Bonds8

About [6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene

[6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene (PubChem CID 173364343) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is [6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene.

Molecular Properties

Compound Name[6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene
PubChem CID173364343
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name[6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene
SMILESC=C(C)C=CCC(C=CC(=C)c1ccccc1)=C(C)C=CCC
InChIInChI=1S/C23H28/c1-6-7-13-20(4)23(16-11-12-19(2)3)18-17-21(5)22-14-9-8-10-15-22/h7-15,17-18H,2,5-6,16H2,1,3-4H3
InChIKeyADIVLHXSHVSDIW-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene?
The IUPAC name of [6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene (CID 173364343) is [6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene.
What is the SMILES notation for [6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene?
The canonical SMILES for [6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene is C=C(C)C=CCC(C=CC(=C)c1ccccc1)=C(C)C=CCC.
What is the InChIKey of [6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene?
The InChIKey is ADIVLHXSHVSDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-6-7-13-20(4)23(16-11-12-19(2)3)18-17-21(5)22-14-9-8-10-15-22/h7-15,17-18H,2,5-6,16H2,1,3-4H3.
What are the key properties of [6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene?
[6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene has a molecular weight of 304.48 g/mol, XLogP of 7.06, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-5-(4-methylpenta-2,4-dienyl)deca-1,3,5,7-tetraen-2-yl]benzene is sourced from PubChem (CID 173364343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).