1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene

C17H22 — CID 143026644

IUPAC1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene
SMILESC/C=C/C=C\C(=C(C)C)c1c(C)cccc1C
InChIInChI=1S/C17H22/c1-6-7-8-12-16(13(2)3)17-14(4)10-9-11-15(17)5/h6-12H,1-5H3/b7-6+,12-8-
InChIKeyWSFGPRJSEFWYDO-KWUPLBGHSA-N
MW226.36 g/mol
LogP5.23
Rot. Bonds3

About 1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene

1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene (PubChem CID 143026644) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene
PubChem CID143026644
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene
SMILESC/C=C/C=C\C(=C(C)C)c1c(C)cccc1C
InChIInChI=1S/C17H22/c1-6-7-8-12-16(13(2)3)17-14(4)10-9-11-15(17)5/h6-12H,1-5H3/b7-6+,12-8-
InChIKeyWSFGPRJSEFWYDO-KWUPLBGHSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.23
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 1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene?
The IUPAC name of 1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene (CID 143026644) is 1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene.
What is the SMILES notation for 1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene?
The canonical SMILES for 1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene is C/C=C/C=C\C(=C(C)C)c1c(C)cccc1C.
What is the InChIKey of 1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene?
The InChIKey is WSFGPRJSEFWYDO-KWUPLBGHSA-N. The full InChI is InChI=1S/C17H22/c1-6-7-8-12-16(13(2)3)17-14(4)10-9-11-15(17)5/h6-12H,1-5H3/b7-6+,12-8-.
What are the key properties of 1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene?
1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene has a molecular weight of 226.36 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[(4Z,6E)-2-methylocta-2,4,6-trien-3-yl]benzene is sourced from PubChem (CID 143026644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).