4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene

C25H42 — CID 144921348

IUPAC4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene
SMILESC=C/C(=C\C)c1ccc(C)c(CCC)c1.CCCCC(CC)CCC
InChIInChI=1S/C15H20.C10H22/c1-5-8-14-11-15(10-9-12(14)4)13(6-2)7-3;1-4-7-9-10(6-3)8-5-2/h6-7,9-11H,2,5,8H2,1,3-4H3;10H,4-9H2,1-3H3/b13-7+;
InChIKeyMLPVASPLTFQJTB-FTPOTTDRSA-N
MW342.61 g/mol
LogP8.54
Rot. Bonds10

About 4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene

4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene (PubChem CID 144921348) has the molecular formula C25H42 and a molecular weight of 342.61 g/mol. Its IUPAC name is 4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene.

Molecular Properties

Compound Name4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene
PubChem CID144921348
Molecular FormulaC25H42
Molecular Weight342.61 g/mol
Exact Mass342.33
IUPAC Name4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene
SMILESC=C/C(=C\C)c1ccc(C)c(CCC)c1.CCCCC(CC)CCC
InChIInChI=1S/C15H20.C10H22/c1-5-8-14-11-15(10-9-12(14)4)13(6-2)7-3;1-4-7-9-10(6-3)8-5-2/h6-7,9-11H,2,5,8H2,1,3-4H3;10H,4-9H2,1-3H3/b13-7+;
InChIKeyMLPVASPLTFQJTB-FTPOTTDRSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1E)-2-(4-methyl-3-propylphenyl)buta-1,3-dien-1-amine
CID 145091561
2,3-dimethylbut-2-ene;ethane;4-ethyl-1,2-dimethylbenzene;4-ethylheptane;pentane
CID 143278928
5-ethylnonane;5-propylnonane
CID 157441807
1-(3,4-dimethylphenyl)-2-(2-ethylhexoxy)ethanone
CID 43800419
1-(2,5-dimethylphenyl)-4-ethyloctan-2-ol
CID 114981430
formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol
CID 145109835
1-(6,6-difluoro-3-propylhexan-2-yl)-3-[(3E)-penta-1,3-dien-3-yl]benzene
CID 144757016
2,6-bis(3-ethylheptyl)naphthalene
CID 91473805
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
3-ethyl-N-[(2-methylphenyl)methyl]heptan-1-amine
CID 142055976
4-[(3Z,5E)-9-ethyldodeca-1,3,5-trien-5-yl]-2-fluoro-1-(3-methylpentyl)benzene
CID 138672767
3-butyl-4-methylphenol;2-methylhexane
CID 142056802

Frequently Asked Questions

What is the IUPAC name of 4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene?
The IUPAC name of 4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene (CID 144921348) is 4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene.
What is the SMILES notation for 4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene?
The canonical SMILES for 4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene is C=C/C(=C\C)c1ccc(C)c(CCC)c1.CCCCC(CC)CCC.
What is the InChIKey of 4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene?
The InChIKey is MLPVASPLTFQJTB-FTPOTTDRSA-N. The full InChI is InChI=1S/C15H20.C10H22/c1-5-8-14-11-15(10-9-12(14)4)13(6-2)7-3;1-4-7-9-10(6-3)8-5-2/h6-7,9-11H,2,5,8H2,1,3-4H3;10H,4-9H2,1-3H3/b13-7+;.
What are the key properties of 4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene?
4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene has a molecular weight of 342.61 g/mol, XLogP of 8.54, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloctane;1-methyl-4-[(3E)-penta-1,3-dien-3-yl]-2-propylbenzene is sourced from PubChem (CID 144921348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).