3-(3,6-dioxooctyl)cyclodecane-1,6-dione

C18H28O4 — CID 166879302

IUPAC3-(3,6-dioxooctyl)cyclodecane-1,6-dione
SMILESCCC(=O)CCC(=O)CCC1CCC(=O)CCCCC(=O)C1
InChIInChI=1S/C18H28O4/c1-2-15(19)11-12-17(21)10-8-14-7-9-16(20)5-3-4-6-18(22)13-14/h14H,2-13H2,1H3
InChIKeyYDBOZYSNQAYMOA-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.59
Rot. Bonds7

About 3-(3,6-dioxooctyl)cyclodecane-1,6-dione

3-(3,6-dioxooctyl)cyclodecane-1,6-dione (PubChem CID 166879302) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-(3,6-dioxooctyl)cyclodecane-1,6-dione.

Molecular Properties

Compound Name3-(3,6-dioxooctyl)cyclodecane-1,6-dione
PubChem CID166879302
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name3-(3,6-dioxooctyl)cyclodecane-1,6-dione
SMILESCCC(=O)CCC(=O)CCC1CCC(=O)CCCCC(=O)C1
InChIInChI=1S/C18H28O4/c1-2-15(19)11-12-17(21)10-8-14-7-9-16(20)5-3-4-6-18(22)13-14/h14H,2-13H2,1H3
InChIKeyYDBOZYSNQAYMOA-UHFFFAOYSA-N
XLogP3.59
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2-hydroxyethyl)cyclopentan-1-one
CID 71387530
cycloheptanone;cyclohexanone;cyclooctanone;cyclopentanone;3-ethylcyclopentan-1-one;3-methylcyclopentan-1-one
CID 158392775
3-pentylcyclopentan-1-one
CID 11040911
hexadecan-2-one;3-undecylcyclopentan-1-one
CID 69382270
bis(3-ethylcyclopentan-1-one);methane
CID 159745334
8-(5,10-dioxooxecan-2-yl)octane-2,3,6-trione
CID 154620486
3-ethylcyclononan-1-one
CID 70178778
1,8-bis(2-oxooxan-4-yl)octane-3,6-dione
CID 23431446
4-ethylcycloheptan-1-one
CID 15698158
hexacosane-3,6,9,12,15,18,21,24-octone
CID 175857763
1-(3-ethylcyclopentyl)pentan-3-one
CID 122412950
3-(3-methylbutyl)cyclopentan-1-one
CID 64521347

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dioxooctyl)cyclodecane-1,6-dione?
The IUPAC name of 3-(3,6-dioxooctyl)cyclodecane-1,6-dione (CID 166879302) is 3-(3,6-dioxooctyl)cyclodecane-1,6-dione.
What is the SMILES notation for 3-(3,6-dioxooctyl)cyclodecane-1,6-dione?
The canonical SMILES for 3-(3,6-dioxooctyl)cyclodecane-1,6-dione is CCC(=O)CCC(=O)CCC1CCC(=O)CCCCC(=O)C1.
What is the InChIKey of 3-(3,6-dioxooctyl)cyclodecane-1,6-dione?
The InChIKey is YDBOZYSNQAYMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O4/c1-2-15(19)11-12-17(21)10-8-14-7-9-16(20)5-3-4-6-18(22)13-14/h14H,2-13H2,1H3.
What are the key properties of 3-(3,6-dioxooctyl)cyclodecane-1,6-dione?
3-(3,6-dioxooctyl)cyclodecane-1,6-dione has a molecular weight of 308.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dioxooctyl)cyclodecane-1,6-dione is sourced from PubChem (CID 166879302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).