3,6-Dimethylheptane-2,4-dione

HCID 538283
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Basic information

Standard SMILES
CC(=O)C(C)C(=O)CC(C)C
InChIKey
BEWPTSWPIROTRC-UHFFFAOYSA-N
Molecular formula
C9H16O2
Average molar mass
156.22 g/mol

Names & identifiers

Preferred name
3,6-Dimethylheptane-2,4-dione
IUPAC
3,6-dimethylheptane-2,4-dione

Names & synonyms

3,6-dimethylheptane-2,4-dione3,6-dimethylheptan-2,4-dione83631-16-73,6-Dimethyl-2,4-heptadioneSCHEMBL45761803,6-dimethyl-2,4-heptandione3,6-Dimethyl-2,4-heptanedione #

Database identifiers

PubChem CID
538283
Nikkaji
J2.366.039C

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
11

Related reactions

2 records
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Compound notes

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