6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione

C18H22O2 — CID 163030210

IUPAC6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione
SMILESCC(=O)C=CC=C(C)C=CC=CC(C)=CC=CC(C)=O
InChIInChI=1S/C18H22O2/c1-15(11-7-13-17(3)19)9-5-6-10-16(2)12-8-14-18(4)20/h5-14H,1-4H3
InChIKeyQZHDVYDCBCWFDS-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.28
Rot. Bonds7

About 6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione

6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione (PubChem CID 163030210) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione.

Molecular Properties

Compound Name6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione
PubChem CID163030210
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione
SMILESCC(=O)C=CC=C(C)C=CC=CC(C)=CC=CC(C)=O
InChIInChI=1S/C18H22O2/c1-15(11-7-13-17(3)19)9-5-6-10-16(2)12-8-14-18(4)20/h5-14H,1-4H3
InChIKeyQZHDVYDCBCWFDS-UHFFFAOYSA-N
XLogP4.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione?
The IUPAC name of 6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione (CID 163030210) is 6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione.
What is the SMILES notation for 6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione?
The canonical SMILES for 6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione is CC(=O)C=CC=C(C)C=CC=CC(C)=CC=CC(C)=O.
What is the InChIKey of 6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione?
The InChIKey is QZHDVYDCBCWFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-15(11-7-13-17(3)19)9-5-6-10-16(2)12-8-14-18(4)20/h5-14H,1-4H3.
What are the key properties of 6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione?
6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione has a molecular weight of 270.37 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dimethylhexadeca-3,5,7,9,11,13-hexaene-2,15-dione is sourced from PubChem (CID 163030210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).