butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole

C28H40N2O — CID 156726287

IUPACbutane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole
SMILESC/C=C\C=C(C)\C(C)=C\C(=C/C)c1nnc(-c2ccc(C(C)(C)C)cc2)o1.CCCC
InChIInChI=1S/C24H30N2O.C4H10/c1-8-10-11-17(3)18(4)16-19(9-2)22-25-26-23(27-22)20-12-14-21(15-13-20)24(5,6)7;1-3-4-2/h8-16H,1-7H3;3-4H2,1-2H3/b10-8-,17-11+,18-16+,19-9+;
InChIKeyBQAJFJIHHQUSHO-UTNJSXRESA-N
MW420.64 g/mol
LogP8.71
Rot. Bonds6

About butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole

butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole (PubChem CID 156726287) has the molecular formula C28H40N2O and a molecular weight of 420.64 g/mol. Its IUPAC name is butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Namebutane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole
PubChem CID156726287
Molecular FormulaC28H40N2O
Molecular Weight420.64 g/mol
Exact Mass420.31
IUPAC Namebutane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole
SMILESC/C=C\C=C(C)\C(C)=C\C(=C/C)c1nnc(-c2ccc(C(C)(C)C)cc2)o1.CCCC
InChIInChI=1S/C24H30N2O.C4H10/c1-8-10-11-17(3)18(4)16-19(9-2)22-25-26-23(27-22)20-12-14-21(15-13-20)24(5,6)7;1-3-4-2/h8-16H,1-7H3;3-4H2,1-2H3/b10-8-,17-11+,18-16+,19-9+;
InChIKeyBQAJFJIHHQUSHO-UTNJSXRESA-N
XLogP8.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-tert-butylphenyl)-5-[3-[5-[(3E)-penta-1,3-dien-3-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 88949275
4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 102504984
2-(1-bromopropyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
CID 62856200
2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 71221239
[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-carbonyl]phenyl]-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 141225959
1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol
CID 20846901
2-(4-tert-butylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 39364415
2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 142929751
2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane
CID 157226539
[4-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol
CID 101084500
2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole
CID 11767205
2-(4-tert-butylphenyl)-5-[4-[4-(2-methoxybutyl)phenyl]phenyl]-1,3,4-oxadiazole
CID 59358176

Frequently Asked Questions

What is the IUPAC name of butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole?
The IUPAC name of butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole (CID 156726287) is butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole is C/C=C\C=C(C)\C(C)=C\C(=C/C)c1nnc(-c2ccc(C(C)(C)C)cc2)o1.CCCC.
What is the InChIKey of butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole?
The InChIKey is BQAJFJIHHQUSHO-UTNJSXRESA-N. The full InChI is InChI=1S/C24H30N2O.C4H10/c1-8-10-11-17(3)18(4)16-19(9-2)22-25-26-23(27-22)20-12-14-21(15-13-20)24(5,6)7;1-3-4-2/h8-16H,1-7H3;3-4H2,1-2H3/b10-8-,17-11+,18-16+,19-9+;.
What are the key properties of butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole?
butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole has a molecular weight of 420.64 g/mol, XLogP of 8.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-(4-tert-butylphenyl)-5-[(2E,4E,6E,8Z)-5,6-dimethyldeca-2,4,6,8-tetraen-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 156726287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).