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

C16H20 — CID 142211855

IUPAC1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene
SMILESC=C/C(=C\C(=C/C)CC)c1ccc(C)cc1
InChIInChI=1S/C16H20/c1-5-14(6-2)12-15(7-3)16-10-8-13(4)9-11-16/h5,7-12H,3,6H2,1-2,4H3/b14-5-,15-12+
InChIKeyQAIWKABPNRNGMW-WIRLBKNSSA-N
MW212.34 g/mol
LogP4.92
Rot. Bonds4

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

1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene (PubChem CID 142211855) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene
PubChem CID142211855
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene
SMILESC=C/C(=C\C(=C/C)CC)c1ccc(C)cc1
InChIInChI=1S/C16H20/c1-5-14(6-2)12-15(7-3)16-10-8-13(4)9-11-16/h5,7-12H,3,6H2,1-2,4H3/b14-5-,15-12+
InChIKeyQAIWKABPNRNGMW-WIRLBKNSSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.92
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-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene?
The IUPAC name of 1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene (CID 142211855) is 1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene?
The canonical SMILES for 1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene is C=C/C(=C\C(=C/C)CC)c1ccc(C)cc1.
What is the InChIKey of 1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene?
The InChIKey is QAIWKABPNRNGMW-WIRLBKNSSA-N. The full InChI is InChI=1S/C16H20/c1-5-14(6-2)12-15(7-3)16-10-8-13(4)9-11-16/h5,7-12H,3,6H2,1-2,4H3/b14-5-,15-12+.
What are the key properties of 1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene?
1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene has a molecular weight of 212.34 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-5-ethylhepta-1,3,5-trien-3-yl]-4-methylbenzene is sourced from PubChem (CID 142211855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).