cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one

C16H16O — CID 123633481

IUPACcyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one
SMILESO=C1C=CC=CC=CC=CC=CC=CC=CC1
InChIInChI=1S/C16H16O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-14H,15H2
InChIKeyLYSPQFQWPOENLD-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.85
Rot. Bonds

About cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one

cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one (PubChem CID 123633481) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one.

Molecular Properties

Compound Namecyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one
PubChem CID123633481
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Namecyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one
SMILESO=C1C=CC=CC=CC=CC=CC=CC=CC1
InChIInChI=1S/C16H16O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-14H,15H2
InChIKeyLYSPQFQWPOENLD-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one?
The IUPAC name of cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one (CID 123633481) is cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one.
What is the SMILES notation for cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one?
The canonical SMILES for cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one is O=C1C=CC=CC=CC=CC=CC=CC=CC1.
What is the InChIKey of cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one?
The InChIKey is LYSPQFQWPOENLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-14H,15H2.
What are the key properties of cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one?
cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one has a molecular weight of 224.30 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one is sourced from PubChem (CID 123633481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).