[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene

C17H18 — CID 142604894

IUPAC[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene
SMILESC=C/C=C\C(=C)C(=C)/C(=C\C)c1ccccc1
InChIInChI=1S/C17H18/c1-5-7-11-14(3)15(4)17(6-2)16-12-9-8-10-13-16/h5-13H,1,3-4H2,2H3/b11-7-,17-6+
InChIKeyZXUFJSOENRYWBK-AVWZLIIYSA-N
MW222.33 g/mol
LogP4.94
Rot. Bonds5

About [(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene

[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene (PubChem CID 142604894) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is [(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene.

Molecular Properties

Compound Name[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene
PubChem CID142604894
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene
SMILESC=C/C=C\C(=C)C(=C)/C(=C\C)c1ccccc1
InChIInChI=1S/C17H18/c1-5-7-11-14(3)15(4)17(6-2)16-12-9-8-10-13-16/h5-13H,1,3-4H2,2H3/b11-7-,17-6+
InChIKeyZXUFJSOENRYWBK-AVWZLIIYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.94
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 [(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene?
The IUPAC name of [(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene (CID 142604894) is [(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene.
What is the SMILES notation for [(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene?
The canonical SMILES for [(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene is C=C/C=C\C(=C)C(=C)/C(=C\C)c1ccccc1.
What is the InChIKey of [(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene?
The InChIKey is ZXUFJSOENRYWBK-AVWZLIIYSA-N. The full InChI is InChI=1S/C17H18/c1-5-7-11-14(3)15(4)17(6-2)16-12-9-8-10-13-16/h5-13H,1,3-4H2,2H3/b11-7-,17-6+.
What are the key properties of [(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene?
[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene has a molecular weight of 222.33 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene is sourced from PubChem (CID 142604894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).