1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene

C17H22 — CID 143872208

IUPAC1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene
SMILESC=C/C=C(C)\C=C(/C)c1ccc(CCC)cc1
InChIInChI=1S/C17H22/c1-5-7-14(3)13-15(4)17-11-9-16(8-6-2)10-12-17/h5,7,9-13H,1,6,8H2,2-4H3/b14-7-,15-13+
InChIKeyMMLBZTWAWMRQHH-CHLXKIOSSA-N
MW226.36 g/mol
LogP5.17
Rot. Bonds5

About 1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene

1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene (PubChem CID 143872208) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene.

Molecular Properties

Compound Name1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene
PubChem CID143872208
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene
SMILESC=C/C=C(C)\C=C(/C)c1ccc(CCC)cc1
InChIInChI=1S/C17H22/c1-5-7-14(3)13-15(4)17-11-9-16(8-6-2)10-12-17/h5,7,9-13H,1,6,8H2,2-4H3/b14-7-,15-13+
InChIKeyMMLBZTWAWMRQHH-CHLXKIOSSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.17
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

1-butyl-4-penta-2,4-dien-2-ylbenzene
CID 123525800
3-(4-propylphenyl)but-2-enenitrile
CID 76913920
1-(1-phenylprop-1-en-2-yl)-4-propylbenzene
CID 57256038
1-prop-1-en-2-yl-4-[(4-propylphenyl)methyl]benzene
CID 153374408
1-[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]-4-propylbenzene
CID 142266398
2-methyl-1-(4-propylphenyl)prop-1-en-1-amine
CID 170745986
1-methyl-4-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]benzene;propane
CID 145212384
1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene
CID 54383292
(E)-2,2-dimethyl-5-(4-pentylphenyl)hex-4-en-3-one
CID 59409740
(3Z)-4,6-dimethylhepta-1,3,5-triene;ethane;4-ethyl-1,2-dimethylbenzene
CID 170619616
(3E)-N-ethenyl-4-(3-propylphenyl)penta-1,3-dien-2-amine
CID 144542813
[4-[2-(4-propylphenyl)ethyl]phenyl] prop-2-enoate
CID 70189649

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene?
The IUPAC name of 1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene (CID 143872208) is 1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene.
What is the SMILES notation for 1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene?
The canonical SMILES for 1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene is C=C/C=C(C)\C=C(/C)c1ccc(CCC)cc1.
What is the InChIKey of 1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene?
The InChIKey is MMLBZTWAWMRQHH-CHLXKIOSSA-N. The full InChI is InChI=1S/C17H22/c1-5-7-14(3)13-15(4)17-11-9-16(8-6-2)10-12-17/h5,7,9-13H,1,6,8H2,2-4H3/b14-7-,15-13+.
What are the key properties of 1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene?
1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene has a molecular weight of 226.36 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]-4-propylbenzene is sourced from PubChem (CID 143872208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).