8-methyldecane-4,5-dione

C11H20O2 — CID 141348222

IUPAC8-methyldecane-4,5-dione
SMILESCCCC(=O)C(=O)CCC(C)CC
InChIInChI=1S/C11H20O2/c1-4-6-10(12)11(13)8-7-9(3)5-2/h9H,4-8H2,1-3H3
InChIKeyGNZGKWMWUNLIRC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.75
Rot. Bonds7

About 8-methyldecane-4,5-dione

8-methyldecane-4,5-dione (PubChem CID 141348222) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 8-methyldecane-4,5-dione.

Molecular Properties

Compound Name8-methyldecane-4,5-dione
PubChem CID141348222
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name8-methyldecane-4,5-dione
SMILESCCCC(=O)C(=O)CCC(C)CC
InChIInChI=1S/C11H20O2/c1-4-6-10(12)11(13)8-7-9(3)5-2/h9H,4-8H2,1-3H3
InChIKeyGNZGKWMWUNLIRC-UHFFFAOYSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyldecane-4,5-dione?
The IUPAC name of 8-methyldecane-4,5-dione (CID 141348222) is 8-methyldecane-4,5-dione.
What is the SMILES notation for 8-methyldecane-4,5-dione?
The canonical SMILES for 8-methyldecane-4,5-dione is CCCC(=O)C(=O)CCC(C)CC.
What is the InChIKey of 8-methyldecane-4,5-dione?
The InChIKey is GNZGKWMWUNLIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-6-10(12)11(13)8-7-9(3)5-2/h9H,4-8H2,1-3H3.
What are the key properties of 8-methyldecane-4,5-dione?
8-methyldecane-4,5-dione has a molecular weight of 184.28 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyldecane-4,5-dione is sourced from PubChem (CID 141348222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).