1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene

C26H38O — CID 145118363

IUPAC1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene
SMILESC/C=C\C(=C/C)Oc1ccc(C)cc1.CC.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H16O.C11H16.C2H6/c1-4-6-12(5-2)14-13-9-7-11(3)8-10-13;1-9-5-7-10(8-6-9)11(2,3)4;1-2/h4-10H,1-3H3;5-8H,1-4H3;1-2H3/b6-4-,12-5+;;
InChIKeyZTESFIVJRJIEEJ-DMLYYHHASA-N
MW366.59 g/mol
LogP8.17
Rot. Bonds3

About 1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene

1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene (PubChem CID 145118363) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene
PubChem CID145118363
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene
SMILESC/C=C\C(=C/C)Oc1ccc(C)cc1.CC.Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C13H16O.C11H16.C2H6/c1-4-6-12(5-2)14-13-9-7-11(3)8-10-13;1-9-5-7-10(8-6-9)11(2,3)4;1-2/h4-10H,1-3H3;5-8H,1-4H3;1-2H3/b6-4-,12-5+;;
InChIKeyZTESFIVJRJIEEJ-DMLYYHHASA-N
XLogP8.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene
CID 143659600
1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene
CID 143551203
1-methyl-4-[(2E,4Z)-6-methylocta-2,4-dien-7-yn-3-yl]oxybenzene
CID 142206755
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-phenoxybenzene
CID 167082780
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]benzene
CID 166945579
1-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]-4-[(3E)-penta-1,3-dien-3-yl]oxybenzene
CID 143570219
1-methyl-4-penta-1,3-dien-3-yloxybenzene
CID 123811564
1-[(E)-but-2-en-2-yl]oxy-4-tert-butylbenzene
CID 143090880
1-tert-butyl-4-methylbenzene
CID 163486601
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-4-[2-(4-methoxyphenyl)butan-2-yl]benzene
CID 143671563
[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate
CID 19171847

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene?
The IUPAC name of 1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene (CID 145118363) is 1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene.
What is the SMILES notation for 1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene?
The canonical SMILES for 1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene is C/C=C\C(=C/C)Oc1ccc(C)cc1.CC.Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene?
The InChIKey is ZTESFIVJRJIEEJ-DMLYYHHASA-N. The full InChI is InChI=1S/C13H16O.C11H16.C2H6/c1-4-6-12(5-2)14-13-9-7-11(3)8-10-13;1-9-5-7-10(8-6-9)11(2,3)4;1-2/h4-10H,1-3H3;5-8H,1-4H3;1-2H3/b6-4-,12-5+;;.
What are the key properties of 1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene?
1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene has a molecular weight of 366.59 g/mol, XLogP of 8.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylbenzene;ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-4-methylbenzene is sourced from PubChem (CID 145118363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).