8-ethyl-5,10-dimethyldodecane-3,7-dione

C16H30O2 — CID 123280162

IUPAC8-ethyl-5,10-dimethyldodecane-3,7-dione
SMILESCCC(=O)CC(C)CC(=O)C(CC)CC(C)CC
InChIInChI=1S/C16H30O2/c1-6-12(4)9-14(7-2)16(18)11-13(5)10-15(17)8-3/h12-14H,6-11H2,1-5H3
InChIKeyBMCYWWNHWVCECK-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.41
Rot. Bonds10

About 8-ethyl-5,10-dimethyldodecane-3,7-dione

8-ethyl-5,10-dimethyldodecane-3,7-dione (PubChem CID 123280162) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 8-ethyl-5,10-dimethyldodecane-3,7-dione.

Molecular Properties

Compound Name8-ethyl-5,10-dimethyldodecane-3,7-dione
PubChem CID123280162
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name8-ethyl-5,10-dimethyldodecane-3,7-dione
SMILESCCC(=O)CC(C)CC(=O)C(CC)CC(C)CC
InChIInChI=1S/C16H30O2/c1-6-12(4)9-14(7-2)16(18)11-13(5)10-15(17)8-3/h12-14H,6-11H2,1-5H3
InChIKeyBMCYWWNHWVCECK-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-methylheptan-3-one
CID 6566014
5-methylnonane-3,7-dione
CID 58421184
2,6-dimethylheptan-4-one;5-methylheptan-3-one
CID 162014497
2-ethyl-4-oxohexanoic acid
CID 71436970
4-(aminomethyl)-2,7-dimethylnonan-5-one
CID 116597857
5-propanoylnonane-3,7-dione
CID 58659698
4-methyloctane-3,6-dione
CID 14711976
4-acetyl-2-ethyl-6-methyloctanamide
CID 58825488
2-(aminomethyl)-N,4-dimethylhexanamide
CID 62313426
(4R,6R)-4,6-dimethyloctan-2-one
CID 15199451
2-(aminomethyl)-4-methyl-N-propylhexanamide
CID 62313782
N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide
CID 118494464

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5,10-dimethyldodecane-3,7-dione?
The IUPAC name of 8-ethyl-5,10-dimethyldodecane-3,7-dione (CID 123280162) is 8-ethyl-5,10-dimethyldodecane-3,7-dione.
What is the SMILES notation for 8-ethyl-5,10-dimethyldodecane-3,7-dione?
The canonical SMILES for 8-ethyl-5,10-dimethyldodecane-3,7-dione is CCC(=O)CC(C)CC(=O)C(CC)CC(C)CC.
What is the InChIKey of 8-ethyl-5,10-dimethyldodecane-3,7-dione?
The InChIKey is BMCYWWNHWVCECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-6-12(4)9-14(7-2)16(18)11-13(5)10-15(17)8-3/h12-14H,6-11H2,1-5H3.
What are the key properties of 8-ethyl-5,10-dimethyldodecane-3,7-dione?
8-ethyl-5,10-dimethyldodecane-3,7-dione has a molecular weight of 254.41 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5,10-dimethyldodecane-3,7-dione is sourced from PubChem (CID 123280162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).