1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene

C18H22O2 — CID 58282064

IUPAC1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene
SMILESC=C/C=C/COc1cc(C)c(OC/C=C/C=C)cc1C
InChIInChI=1S/C18H22O2/c1-5-7-9-11-19-17-13-16(4)18(14-15(17)3)20-12-10-8-6-2/h5-10,13-14H,1-2,11-12H2,3-4H3/b9-7+,10-8+
InChIKeyGTCVUVRBJQAKNH-FIFLTTCUSA-N
MW270.37 g/mol
LogP4.55
Rot. Bonds8

About 1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene

1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene (PubChem CID 58282064) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene
PubChem CID58282064
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene
SMILESC=C/C=C/COc1cc(C)c(OC/C=C/C=C)cc1C
InChIInChI=1S/C18H22O2/c1-5-7-9-11-19-17-13-16(4)18(14-15(17)3)20-12-10-8-6-2/h5-10,13-14H,1-2,11-12H2,3-4H3/b9-7+,10-8+
InChIKeyGTCVUVRBJQAKNH-FIFLTTCUSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene?
The IUPAC name of 1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene (CID 58282064) is 1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene.
What is the SMILES notation for 1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene?
The canonical SMILES for 1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene is C=C/C=C/COc1cc(C)c(OC/C=C/C=C)cc1C.
What is the InChIKey of 1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene?
The InChIKey is GTCVUVRBJQAKNH-FIFLTTCUSA-N. The full InChI is InChI=1S/C18H22O2/c1-5-7-9-11-19-17-13-16(4)18(14-15(17)3)20-12-10-8-6-2/h5-10,13-14H,1-2,11-12H2,3-4H3/b9-7+,10-8+.
What are the key properties of 1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene?
1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene has a molecular weight of 270.37 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2,5-bis[(2E)-penta-2,4-dienoxy]benzene is sourced from PubChem (CID 58282064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).