1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene

C24H24 — CID 59878731

IUPAC1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene
SMILESC/C=C\C=C(/C)c1cc(C)cc2cc(C)cc(-c3ccccc3)c12
InChIInChI=1S/C24H24/c1-5-6-10-19(4)22-15-17(2)13-21-14-18(3)16-23(24(21)22)20-11-8-7-9-12-20/h5-16H,1-4H3/b6-5-,19-10+
InChIKeyKHCIJUHWYKXFJX-IZDPDWRWSA-N
MW312.46 g/mol
LogP7.10
Rot. Bonds3

About 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene

1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene (PubChem CID 59878731) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene.

Molecular Properties

Compound Name1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene
PubChem CID59878731
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene
SMILESC/C=C\C=C(/C)c1cc(C)cc2cc(C)cc(-c3ccccc3)c12
InChIInChI=1S/C24H24/c1-5-6-10-19(4)22-15-17(2)13-21-14-18(3)16-23(24(21)22)20-11-8-7-9-12-20/h5-16H,1-4H3/b6-5-,19-10+
InChIKeyKHCIJUHWYKXFJX-IZDPDWRWSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 57.10
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,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene?
The IUPAC name of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene (CID 59878731) is 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene.
What is the SMILES notation for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene?
The canonical SMILES for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene is C/C=C\C=C(/C)c1cc(C)cc2cc(C)cc(-c3ccccc3)c12.
What is the InChIKey of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene?
The InChIKey is KHCIJUHWYKXFJX-IZDPDWRWSA-N. The full InChI is InChI=1S/C24H24/c1-5-6-10-19(4)22-15-17(2)13-21-14-18(3)16-23(24(21)22)20-11-8-7-9-12-20/h5-16H,1-4H3/b6-5-,19-10+.
What are the key properties of 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene?
1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene has a molecular weight of 312.46 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,6-dimethyl-8-phenylnaphthalene is sourced from PubChem (CID 59878731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).