cyclooctadeca-3,5-diene-1,8-dione

C18H28O2 — CID 91170043

IUPACcyclooctadeca-3,5-diene-1,8-dione
SMILESO=C1CC=CC=CCC(=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/h7-8,11-12H,1-6,9-10,13-16H2
InChIKeyYMETYYOOLMPIQC-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.93
Rot. Bonds

About cyclooctadeca-3,5-diene-1,8-dione

cyclooctadeca-3,5-diene-1,8-dione (PubChem CID 91170043) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is cyclooctadeca-3,5-diene-1,8-dione.

Molecular Properties

Compound Namecyclooctadeca-3,5-diene-1,8-dione
PubChem CID91170043
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Namecyclooctadeca-3,5-diene-1,8-dione
SMILESO=C1CC=CC=CCC(=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/h7-8,11-12H,1-6,9-10,13-16H2
InChIKeyYMETYYOOLMPIQC-UHFFFAOYSA-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

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Related Compounds

(3Z)-cyclododec-3-en-1-one
CID 18348362
cyclopentanone;cyclopent-3-en-1-one
CID 67539002
(3Z,7Z)-cyclododeca-3,7-dien-1-one
CID 69032820
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030
cyclotricosanone
CID 54375596
cyclododecanone
CID 141308130
azane;cyclohexanone;ethane
CID 174919946
(10Z)-cycloicos-10-en-1-one
CID 11254844
cyclohexanone;cyclohexene
CID 67659841
azane;cyclononanone
CID 172719607
cyclohexane;cyclohexanone;sulfane
CID 175236228
cyclododecanone;2-methylpropane
CID 174689717

Frequently Asked Questions

What is the IUPAC name of cyclooctadeca-3,5-diene-1,8-dione?
The IUPAC name of cyclooctadeca-3,5-diene-1,8-dione (CID 91170043) is cyclooctadeca-3,5-diene-1,8-dione.
What is the SMILES notation for cyclooctadeca-3,5-diene-1,8-dione?
The canonical SMILES for cyclooctadeca-3,5-diene-1,8-dione is O=C1CC=CC=CCC(=O)CCCCCCCCCC1.
What is the InChIKey of cyclooctadeca-3,5-diene-1,8-dione?
The InChIKey is YMETYYOOLMPIQC-UHFFFAOYSA-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/h7-8,11-12H,1-6,9-10,13-16H2.
What are the key properties of cyclooctadeca-3,5-diene-1,8-dione?
cyclooctadeca-3,5-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 cyclooctadeca-3,5-diene-1,8-dione is sourced from PubChem (CID 91170043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).