(3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene

C15H20O — CID 89442362

IUPAC(3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene
SMILESC=C/C=C\C=C/COCC(/C=C\C)=C/C=C
InChIInChI=1S/C15H20O/c1-4-7-8-9-10-13-16-14-15(11-5-2)12-6-3/h4-12H,1-2,13-14H2,3H3/b8-7-,10-9-,12-6-,15-11+
InChIKeyRYMOQPZKTMPAHK-JHKSUPOBSA-N
MW216.32 g/mol
LogP3.99
Rot. Bonds8

About (3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene

(3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene (PubChem CID 89442362) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene
PubChem CID89442362
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene
SMILESC=C/C=C\C=C/COCC(/C=C\C)=C/C=C
InChIInChI=1S/C15H20O/c1-4-7-8-9-10-13-16-14-15(11-5-2)12-6-3/h4-12H,1-2,13-14H2,3H3/b8-7-,10-9-,12-6-,15-11+
InChIKeyRYMOQPZKTMPAHK-JHKSUPOBSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene (CID 89442362) is (3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene is C=C/C=C\C=C/COCC(/C=C\C)=C/C=C.
What is the InChIKey of (3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene?
The InChIKey is RYMOQPZKTMPAHK-JHKSUPOBSA-N. The full InChI is InChI=1S/C15H20O/c1-4-7-8-9-10-13-16-14-15(11-5-2)12-6-3/h4-12H,1-2,13-14H2,3H3/b8-7-,10-9-,12-6-,15-11+.
What are the key properties of (3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene?
(3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene has a molecular weight of 216.32 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-[[(2Z,4Z)-hepta-2,4,6-trienoxy]methyl]hepta-1,3,5-triene is sourced from PubChem (CID 89442362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).