1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene

C17H22 — CID 143819695

IUPAC1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene
SMILESC=C/C(=C(\C=C/C)CC)c1ccc(CC)cc1
InChIInChI=1S/C17H22/c1-5-9-15(7-3)17(8-4)16-12-10-14(6-2)11-13-16/h5,8-13H,4,6-7H2,1-3H3/b9-5-,17-15+
InChIKeyVZAIZTMLCOIKLV-DFEMFBRTSA-N
MW226.36 g/mol
LogP5.17
Rot. Bonds5

About 1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene

1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene (PubChem CID 143819695) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene
PubChem CID143819695
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene
SMILESC=C/C(=C(\C=C/C)CC)c1ccc(CC)cc1
InChIInChI=1S/C17H22/c1-5-9-15(7-3)17(8-4)16-12-10-14(6-2)11-13-16/h5,8-13H,4,6-7H2,1-3H3/b9-5-,17-15+
InChIKeyVZAIZTMLCOIKLV-DFEMFBRTSA-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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene?
The IUPAC name of 1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene (CID 143819695) is 1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene.
What is the SMILES notation for 1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene?
The canonical SMILES for 1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene is C=C/C(=C(\C=C/C)CC)c1ccc(CC)cc1.
What is the InChIKey of 1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene?
The InChIKey is VZAIZTMLCOIKLV-DFEMFBRTSA-N. The full InChI is InChI=1S/C17H22/c1-5-9-15(7-3)17(8-4)16-12-10-14(6-2)11-13-16/h5,8-13H,4,6-7H2,1-3H3/b9-5-,17-15+.
What are the key properties of 1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene?
1-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene 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-ethyl-4-[(3E,5Z)-4-ethylhepta-1,3,5-trien-3-yl]benzene is sourced from PubChem (CID 143819695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).