ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene

C15H20O — CID 142113117

IUPACethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene
SMILESC=C/C=C\C=C/COc1ccccc1.CC
InChIInChI=1S/C13H14O.C2H6/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13;1-2/h2-11H,1,12H2;1-2H3/b4-3-,9-5-;
InChIKeyKYEUECWEBIPFGB-UPOARCEASA-N
MW216.32 g/mol
LogP4.39
Rot. Bonds5

About ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene

ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene (PubChem CID 142113117) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene.

Molecular Properties

Compound Nameethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene
PubChem CID142113117
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Nameethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene
SMILESC=C/C=C\C=C/COc1ccccc1.CC
InChIInChI=1S/C13H14O.C2H6/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13;1-2/h2-11H,1,12H2;1-2H3/b4-3-,9-5-;
InChIKeyKYEUECWEBIPFGB-UPOARCEASA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.39
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 ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene?
The IUPAC name of ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene (CID 142113117) is ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene.
What is the SMILES notation for ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene?
The canonical SMILES for ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene is C=C/C=C\C=C/COc1ccccc1.CC.
What is the InChIKey of ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene?
The InChIKey is KYEUECWEBIPFGB-UPOARCEASA-N. The full InChI is InChI=1S/C13H14O.C2H6/c1-2-3-4-5-9-12-14-13-10-7-6-8-11-13;1-2/h2-11H,1,12H2;1-2H3/b4-3-,9-5-;.
What are the key properties of ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene?
ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene has a molecular weight of 216.32 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2Z,4Z)-hepta-2,4,6-trienoxy]benzene is sourced from PubChem (CID 142113117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).