5-methylnonane-3,7-dione

C10H18O2 — CID 58421184

IUPAC5-methylnonane-3,7-dione
SMILESCCC(=O)CC(C)CC(=O)CC
InChIInChI=1S/C10H18O2/c1-4-9(11)6-8(3)7-10(12)5-2/h8H,4-7H2,1-3H3
InChIKeyMLKMTNVZFZYCTE-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.36
Rot. Bonds6

About 5-methylnonane-3,7-dione

5-methylnonane-3,7-dione (PubChem CID 58421184) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 5-methylnonane-3,7-dione.

Molecular Properties

Compound Name5-methylnonane-3,7-dione
PubChem CID58421184
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name5-methylnonane-3,7-dione
SMILESCCC(=O)CC(C)CC(=O)CC
InChIInChI=1S/C10H18O2/c1-4-9(11)6-8(3)7-10(12)5-2/h8H,4-7H2,1-3H3
InChIKeyMLKMTNVZFZYCTE-UHFFFAOYSA-N
XLogP2.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-methylheptan-3-one
CID 6566014
2,6-dimethylheptan-4-one;5-methylheptan-3-one
CID 162014497
8-ethyl-5,10-dimethyldodecane-3,7-dione
CID 123280162
N-(2,3-dimethylbutyl)-3-methyl-5-oxoheptanamide
CID 118494464
4-methyloctane-3,6-dione
CID 14711976
5-ethylsulfonylhexan-3-one
CID 140915853
5-methyl-3,7-dioxononanedioic acid
CID 23344572
5-propanoylnonane-3,7-dione
CID 58659698
(5S)-5-methyloct-6-en-3-one
CID 91563956
5-hydroxy-6-methoxyheptan-3-one
CID 22372350
pentan-3-one;trihydrochloride
CID 172711203
hydrogen peroxide;pentan-3-one
CID 18361632

Frequently Asked Questions

What is the IUPAC name of 5-methylnonane-3,7-dione?
The IUPAC name of 5-methylnonane-3,7-dione (CID 58421184) is 5-methylnonane-3,7-dione.
What is the SMILES notation for 5-methylnonane-3,7-dione?
The canonical SMILES for 5-methylnonane-3,7-dione is CCC(=O)CC(C)CC(=O)CC.
What is the InChIKey of 5-methylnonane-3,7-dione?
The InChIKey is MLKMTNVZFZYCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-9(11)6-8(3)7-10(12)5-2/h8H,4-7H2,1-3H3.
What are the key properties of 5-methylnonane-3,7-dione?
5-methylnonane-3,7-dione has a molecular weight of 170.25 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylnonane-3,7-dione is sourced from PubChem (CID 58421184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).