octa-3,5,7-trienoxybenzene

C14H16O — CID 54259150

IUPACocta-3,5,7-trienoxybenzene
SMILESC=CC=CC=CCCOc1ccccc1
InChIInChI=1S/C14H16O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2-9,11-12H,1,10,13H2
InChIKeyRCFVEMHWTARBFY-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.75
Rot. Bonds6

About octa-3,5,7-trienoxybenzene

octa-3,5,7-trienoxybenzene (PubChem CID 54259150) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is octa-3,5,7-trienoxybenzene.

Molecular Properties

Compound Nameocta-3,5,7-trienoxybenzene
PubChem CID54259150
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Nameocta-3,5,7-trienoxybenzene
SMILESC=CC=CC=CCCOc1ccccc1
InChIInChI=1S/C14H16O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2-9,11-12H,1,10,13H2
InChIKeyRCFVEMHWTARBFY-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.75
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 octa-3,5,7-trienoxybenzene?
The IUPAC name of octa-3,5,7-trienoxybenzene (CID 54259150) is octa-3,5,7-trienoxybenzene.
What is the SMILES notation for octa-3,5,7-trienoxybenzene?
The canonical SMILES for octa-3,5,7-trienoxybenzene is C=CC=CC=CCCOc1ccccc1.
What is the InChIKey of octa-3,5,7-trienoxybenzene?
The InChIKey is RCFVEMHWTARBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2-9,11-12H,1,10,13H2.
What are the key properties of octa-3,5,7-trienoxybenzene?
octa-3,5,7-trienoxybenzene has a molecular weight of 200.28 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-3,5,7-trienoxybenzene is sourced from PubChem (CID 54259150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).