octa-1,6-dienoxybenzene

C14H18O — CID 66617276

IUPACocta-1,6-dienoxybenzene
SMILESCC=CCCCC=COc1ccccc1
InChIInChI=1S/C14H18O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2-3,7-13H,4-6H2,1H3
InChIKeyKIKSZRNVJAMSCJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP4.33
Rot. Bonds6

About octa-1,6-dienoxybenzene

octa-1,6-dienoxybenzene (PubChem CID 66617276) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is octa-1,6-dienoxybenzene.

Molecular Properties

Compound Nameocta-1,6-dienoxybenzene
PubChem CID66617276
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Nameocta-1,6-dienoxybenzene
SMILESCC=CCCCC=COc1ccccc1
InChIInChI=1S/C14H18O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2-3,7-13H,4-6H2,1H3
InChIKeyKIKSZRNVJAMSCJ-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-but-1-enoxy]benzene;ethane
CID 143220778
[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]benzene
CID 143684378
[(E)-prop-1-enoxy]benzene;zinc;chloride
CID 101206990
1-[(Z)-pent-3-enyl]-4-phenoxybenzene
CID 83939005
[(E)-3-phenoxyprop-2-enyl]benzene
CID 11961333
diphenyl hydrogen phosphate;hept-2-ene
CID 160671397
but-2-enoxybenzene
CID 564963
methyl (Z)-4-phenoxybut-3-enoate
CID 5371920
1-ethyl-4-[(E)-pent-1-enoxy]benzene
CID 89304305
[(1E,9E)-undeca-1,9-dienyl] 3-phenylpropanoate
CID 70225660
1-[(Z)-8-bromooct-1-enoxy]-4-methoxybenzene
CID 58460828
pent-3-enylbenzene
CID 519421

Frequently Asked Questions

What is the IUPAC name of octa-1,6-dienoxybenzene?
The IUPAC name of octa-1,6-dienoxybenzene (CID 66617276) is octa-1,6-dienoxybenzene.
What is the SMILES notation for octa-1,6-dienoxybenzene?
The canonical SMILES for octa-1,6-dienoxybenzene is CC=CCCCC=COc1ccccc1.
What is the InChIKey of octa-1,6-dienoxybenzene?
The InChIKey is KIKSZRNVJAMSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2-3,7-13H,4-6H2,1H3.
What are the key properties of octa-1,6-dienoxybenzene?
octa-1,6-dienoxybenzene has a molecular weight of 202.30 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,6-dienoxybenzene is sourced from PubChem (CID 66617276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).