(9E,21E)-cyclodocosa-9,21-diene-1,8-dione

C22H36O2 — CID 10193416

IUPAC(9E,21E)-cyclodocosa-9,21-diene-1,8-dione
SMILESO=C1/C=C/CCCCCCCCCC/C=C/C(=O)CCCCCC1
InChIInChI=1S/C22H36O2/c23-21-17-13-9-7-5-3-1-2-4-6-8-10-14-18-22(24)20-16-12-11-15-19-21/h13-14,17-18H,1-12,15-16,19-20H2/b17-13+,18-14+
InChIKeyZOVVCCJQGMNOOR-HBKJEHTGSA-N
MW332.53 g/mol
LogP6.49
Rot. Bonds

About (9E,21E)-cyclodocosa-9,21-diene-1,8-dione

(9E,21E)-cyclodocosa-9,21-diene-1,8-dione (PubChem CID 10193416) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is (9E,21E)-cyclodocosa-9,21-diene-1,8-dione.

Molecular Properties

Compound Name(9E,21E)-cyclodocosa-9,21-diene-1,8-dione
PubChem CID10193416
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name(9E,21E)-cyclodocosa-9,21-diene-1,8-dione
SMILESO=C1/C=C/CCCCCCCCCC/C=C/C(=O)CCCCCC1
InChIInChI=1S/C22H36O2/c23-21-17-13-9-7-5-3-1-2-4-6-8-10-14-18-22(24)20-16-12-11-15-19-21/h13-14,17-18H,1-12,15-16,19-20H2/b17-13+,18-14+
InChIKeyZOVVCCJQGMNOOR-HBKJEHTGSA-N
XLogP6.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione
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(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 58620253
(2Z,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 23567736
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CID 21391808
CID 68518361
CID 68518361
(2Z,8E)-cycloundeca-2,8-dien-1-one
CID 171377468
(8E)-bicyclo[12.1.0]pentadec-8-en-7-one
CID 87257523
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CID 154444863
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Frequently Asked Questions

What is the IUPAC name of (9E,21E)-cyclodocosa-9,21-diene-1,8-dione?
The IUPAC name of (9E,21E)-cyclodocosa-9,21-diene-1,8-dione (CID 10193416) is (9E,21E)-cyclodocosa-9,21-diene-1,8-dione.
What is the SMILES notation for (9E,21E)-cyclodocosa-9,21-diene-1,8-dione?
The canonical SMILES for (9E,21E)-cyclodocosa-9,21-diene-1,8-dione is O=C1/C=C/CCCCCCCCCC/C=C/C(=O)CCCCCC1.
What is the InChIKey of (9E,21E)-cyclodocosa-9,21-diene-1,8-dione?
The InChIKey is ZOVVCCJQGMNOOR-HBKJEHTGSA-N. The full InChI is InChI=1S/C22H36O2/c23-21-17-13-9-7-5-3-1-2-4-6-8-10-14-18-22(24)20-16-12-11-15-19-21/h13-14,17-18H,1-12,15-16,19-20H2/b17-13+,18-14+.
What are the key properties of (9E,21E)-cyclodocosa-9,21-diene-1,8-dione?
(9E,21E)-cyclodocosa-9,21-diene-1,8-dione has a molecular weight of 332.53 g/mol, XLogP of 6.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,21E)-cyclodocosa-9,21-diene-1,8-dione is sourced from PubChem (CID 10193416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).