[(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene

C15H20O — CID 143141448

IUPAC[(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene
SMILESC/C=C\C=C(\COCC)Cc1ccccc1
InChIInChI=1S/C15H20O/c1-3-5-9-15(13-16-4-2)12-14-10-7-6-8-11-14/h3,5-11H,4,12-13H2,1-2H3/b5-3-,15-9+
InChIKeyXBPZNXYWEKMYBE-WURXWAMFSA-N
MW216.32 g/mol
LogP3.77
Rot. Bonds6

About [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene

[(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene (PubChem CID 143141448) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene.

Molecular Properties

Compound Name[(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene
PubChem CID143141448
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name[(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene
SMILESC/C=C\C=C(\COCC)Cc1ccccc1
InChIInChI=1S/C15H20O/c1-3-5-9-15(13-16-4-2)12-14-10-7-6-8-11-14/h3,5-11H,4,12-13H2,1-2H3/b5-3-,15-9+
InChIKeyXBPZNXYWEKMYBE-WURXWAMFSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene?
The IUPAC name of [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene (CID 143141448) is [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene.
What is the SMILES notation for [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene?
The canonical SMILES for [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene is C/C=C\C=C(\COCC)Cc1ccccc1.
What is the InChIKey of [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene?
The InChIKey is XBPZNXYWEKMYBE-WURXWAMFSA-N. The full InChI is InChI=1S/C15H20O/c1-3-5-9-15(13-16-4-2)12-14-10-7-6-8-11-14/h3,5-11H,4,12-13H2,1-2H3/b5-3-,15-9+.
What are the key properties of [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene?
[(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene has a molecular weight of 216.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-2-(ethoxymethyl)hexa-2,4-dienyl]benzene is sourced from PubChem (CID 143141448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).