1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene

C19H22 — CID 144787986

IUPAC1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene
SMILESC=C/C=C(\C)c1cccc(/C(C)=C/C(=C)C(=C)C)c1
InChIInChI=1S/C19H22/c1-7-9-15(4)18-10-8-11-19(13-18)17(6)12-16(5)14(2)3/h7-13H,1-2,5H2,3-4,6H3/b15-9+,17-12+
InChIKeyUJLXRRWFHJGGKO-AXBOCVROSA-N
MW250.38 g/mol
LogP5.81
Rot. Bonds5

About 1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene

1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene (PubChem CID 144787986) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene.

Molecular Properties

Compound Name1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene
PubChem CID144787986
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene
SMILESC=C/C=C(\C)c1cccc(/C(C)=C/C(=C)C(=C)C)c1
InChIInChI=1S/C19H22/c1-7-9-15(4)18-10-8-11-19(13-18)17(6)12-16(5)14(2)3/h7-13H,1-2,5H2,3-4,6H3/b15-9+,17-12+
InChIKeyUJLXRRWFHJGGKO-AXBOCVROSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.81
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 1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene?
The IUPAC name of 1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene (CID 144787986) is 1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene.
What is the SMILES notation for 1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene?
The canonical SMILES for 1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene is C=C/C=C(\C)c1cccc(/C(C)=C/C(=C)C(=C)C)c1.
What is the InChIKey of 1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene?
The InChIKey is UJLXRRWFHJGGKO-AXBOCVROSA-N. The full InChI is InChI=1S/C19H22/c1-7-9-15(4)18-10-8-11-19(13-18)17(6)12-16(5)14(2)3/h7-13H,1-2,5H2,3-4,6H3/b15-9+,17-12+.
What are the key properties of 1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene?
1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene has a molecular weight of 250.38 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-5-methyl-4-methylidenehexa-2,5-dien-2-yl]-3-[(2E)-penta-2,4-dien-2-yl]benzene is sourced from PubChem (CID 144787986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).