1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene

C16H22 — CID 142049182

IUPAC1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene
SMILESC/C=C(\C=C/CC)C(C)c1ccc(C)cc1
InChIInChI=1S/C16H22/c1-5-7-8-15(6-2)14(4)16-11-9-13(3)10-12-16/h6-12,14H,5H2,1-4H3/b8-7-,15-6+
InChIKeyKJGNEWQPOZFUBG-SPJJUJCTSA-N
MW214.35 g/mol
LogP5.01
Rot. Bonds4

About 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene

1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene (PubChem CID 142049182) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene
PubChem CID142049182
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene
SMILESC/C=C(\C=C/CC)C(C)c1ccc(C)cc1
InChIInChI=1S/C16H22/c1-5-7-8-15(6-2)14(4)16-11-9-13(3)10-12-16/h6-12,14H,5H2,1-4H3/b8-7-,15-6+
InChIKeyKJGNEWQPOZFUBG-SPJJUJCTSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.01
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-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene?
The IUPAC name of 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene (CID 142049182) is 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene.
What is the SMILES notation for 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene?
The canonical SMILES for 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene is C/C=C(\C=C/CC)C(C)c1ccc(C)cc1.
What is the InChIKey of 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene?
The InChIKey is KJGNEWQPOZFUBG-SPJJUJCTSA-N. The full InChI is InChI=1S/C16H22/c1-5-7-8-15(6-2)14(4)16-11-9-13(3)10-12-16/h6-12,14H,5H2,1-4H3/b8-7-,15-6+.
What are the key properties of 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene?
1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene has a molecular weight of 214.35 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,3E)-3-ethylidenehept-4-en-2-yl]-4-methylbenzene is sourced from PubChem (CID 142049182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).