1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene

C34H54 — CID 143032844

IUPAC1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene
SMILESC.C.C=C/C=C\C(C)=C(/C)c1ccc(C(=C)C)c(C)c1.CC.CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22.C12H18.C2H6.2CH4/c1-7-8-9-14(4)16(6)17-10-11-18(13(2)3)15(5)12-17;1-5-10-6-8-11(9-7-10)12(2,3)4;1-2;;/h7-12H,1-2H2,3-6H3;6-9H,5H2,1-4H3;1-2H3;2*1H4/b9-8-,16-14+;;;;
InChIKeyACFINQKGAXPSQA-HAPHWNDZSA-N
MW462.81 g/mol
LogP11.41
Rot. Bonds5

About 1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene

1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene (PubChem CID 143032844) has the molecular formula C34H54 and a molecular weight of 462.81 g/mol. Its IUPAC name is 1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene
PubChem CID143032844
Molecular FormulaC34H54
Molecular Weight462.81 g/mol
Exact Mass462.42
IUPAC Name1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene
SMILESC.C.C=C/C=C\C(C)=C(/C)c1ccc(C(=C)C)c(C)c1.CC.CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22.C12H18.C2H6.2CH4/c1-7-8-9-14(4)16(6)17-10-11-18(13(2)3)15(5)12-17;1-5-10-6-8-11(9-7-10)12(2,3)4;1-2;;/h7-12H,1-2H2,3-6H3;6-9H,5H2,1-4H3;1-2H3;2*1H4/b9-8-,16-14+;;;;
InChIKeyACFINQKGAXPSQA-HAPHWNDZSA-N
XLogP11.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.81
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene with MolForge

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Related Compounds

3-tert-butyl-5-ethyl-N-[1-[4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]phenyl]ethenyl]aniline
CID 143030334
ethane;1-ethyl-4-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
CID 143259588
1-tert-butyl-4-ethylbenzene
CID 157359507
N-(4-buta-1,3-dien-2-ylphenyl)-N-(4-tert-butylphenyl)-4-ethylaniline
CID 159225256
1-tert-butyl-4-ethylbenzene;prop-1-ene;toluene
CID 171509592
butan-2-one;1-tert-butyl-4-ethylbenzene;2-methylprop-1-ene
CID 142361555
4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene
CID 91045189
1-ethyl-4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]benzene
CID 142394610
1-[1-(4-ethylphenyl)ethenyl]-2,4-dimethylbenzene
CID 123269031
4-tert-butyl-1,2-dimethylbenzene;1,2-dimethyl-4-prop-1-en-2-ylbenzene;ethane;1-ethyl-2-methylbenzene
CID 142057548
ethane;4-ethyl-1-[(1E)-1-fluorobuta-1,3-dienyl]-2-methylbenzene
CID 142360129
4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene
CID 143533260

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene?
The IUPAC name of 1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene (CID 143032844) is 1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene is C.C.C=C/C=C\C(C)=C(/C)c1ccc(C(=C)C)c(C)c1.CC.CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene?
The InChIKey is ACFINQKGAXPSQA-HAPHWNDZSA-N. The full InChI is InChI=1S/C18H22.C12H18.C2H6.2CH4/c1-7-8-9-14(4)16(6)17-10-11-18(13(2)3)15(5)12-17;1-5-10-6-8-11(9-7-10)12(2,3)4;1-2;;/h7-12H,1-2H2,3-6H3;6-9H,5H2,1-4H3;1-2H3;2*1H4/b9-8-,16-14+;;;;.
What are the key properties of 1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene?
1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene has a molecular weight of 462.81 g/mol, XLogP of 11.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethylbenzene;ethane;methane;2-methyl-4-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-1-prop-1-en-2-ylbenzene is sourced from PubChem (CID 143032844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).