(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione

C18H28O2 — CID 58620253

IUPAC(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione
SMILESO=C1/C=C/CC/C=C/C(=O)CCCCCCCCCC1
InChIInChI=1S/C18H28O2/c19-17-13-9-5-3-1-2-4-6-10-14-18(20)16-12-8-7-11-15-17/h11-12,15-16H,1-10,13-14H2/b15-11+,16-12+
InChIKeyOMOIRKHMSJBRMG-JOBJLJCHSA-N
MW276.42 g/mol
LogP4.93
Rot. Bonds

About (2E,6E)-cyclooctadeca-2,6-diene-1,8-dione

(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione (PubChem CID 58620253) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (2E,6E)-cyclooctadeca-2,6-diene-1,8-dione.

Molecular Properties

Compound Name(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione
PubChem CID58620253
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione
SMILESO=C1/C=C/CC/C=C/C(=O)CCCCCCCCCC1
InChIInChI=1S/C18H28O2/c19-17-13-9-5-3-1-2-4-6-10-14-18(20)16-12-8-7-11-15-17/h11-12,15-16H,1-10,13-14H2/b15-11+,16-12+
InChIKeyOMOIRKHMSJBRMG-JOBJLJCHSA-N
XLogP4.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2E,6E)-cyclooctadeca-2,6-diene-1,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 23567736
(2E)-cyclooct-2-en-1-one
CID 12579018
(2E,8E)-cycloicosa-2,8-diene-1,10-dione
CID 10149582
(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione
CID 23567733
(9E,21E)-cyclodocosa-9,21-diene-1,8-dione
CID 10193416
(2E)-cyclononadec-2-en-1-one
CID 171377738
cyclohex-2-en-1-one;dihydrochloride
CID 21391808
CID 68518361
CID 68518361
(8E)-bicyclo[12.1.0]pentadec-8-en-7-one
CID 87257523
cyclohex-2-en-1-one;piperidine
CID 163560631
(2Z,8E)-cycloundeca-2,8-dien-1-one
CID 171377468
(8E)-1-oxacycloundec-8-ene-2,7-dione
CID 5364708

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-cyclooctadeca-2,6-diene-1,8-dione?
The IUPAC name of (2E,6E)-cyclooctadeca-2,6-diene-1,8-dione (CID 58620253) is (2E,6E)-cyclooctadeca-2,6-diene-1,8-dione.
What is the SMILES notation for (2E,6E)-cyclooctadeca-2,6-diene-1,8-dione?
The canonical SMILES for (2E,6E)-cyclooctadeca-2,6-diene-1,8-dione is O=C1/C=C/CC/C=C/C(=O)CCCCCCCCCC1.
What is the InChIKey of (2E,6E)-cyclooctadeca-2,6-diene-1,8-dione?
The InChIKey is OMOIRKHMSJBRMG-JOBJLJCHSA-N. The full InChI is InChI=1S/C18H28O2/c19-17-13-9-5-3-1-2-4-6-10-14-18(20)16-12-8-7-11-15-17/h11-12,15-16H,1-10,13-14H2/b15-11+,16-12+.
What are the key properties of (2E,6E)-cyclooctadeca-2,6-diene-1,8-dione?
(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione has a molecular weight of 276.42 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-cyclooctadeca-2,6-diene-1,8-dione is sourced from PubChem (CID 58620253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).