2-methyldodecane-3,5-dione

C13H24O2 — CID 62875134

IUPAC2-methyldodecane-3,5-dione
SMILESCCCCCCCC(=O)CC(=O)C(C)C
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-9-12(14)10-13(15)11(2)3/h11H,4-10H2,1-3H3
InChIKeyNJASAPXPNQBGNA-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.53
Rot. Bonds9

About 2-methyldodecane-3,5-dione

2-methyldodecane-3,5-dione (PubChem CID 62875134) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methyldodecane-3,5-dione.

Molecular Properties

Compound Name2-methyldodecane-3,5-dione
PubChem CID62875134
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methyldodecane-3,5-dione
SMILESCCCCCCCC(=O)CC(=O)C(C)C
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-9-12(14)10-13(15)11(2)3/h11H,4-10H2,1-3H3
InChIKeyNJASAPXPNQBGNA-UHFFFAOYSA-N
XLogP3.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyldecane-3,5-dione
CID 62875136
2-methylhexadecan-3-one
CID 58030381
heptacosane-10,12-dione
CID 14235516
pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
nonatriacontane-8,29-dione
CID 150237018
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
tetradecane-3,5-dione
CID 140998856
3-oxoicosanethioic S-acid
CID 57319245

Frequently Asked Questions

What is the IUPAC name of 2-methyldodecane-3,5-dione?
The IUPAC name of 2-methyldodecane-3,5-dione (CID 62875134) is 2-methyldodecane-3,5-dione.
What is the SMILES notation for 2-methyldodecane-3,5-dione?
The canonical SMILES for 2-methyldodecane-3,5-dione is CCCCCCCC(=O)CC(=O)C(C)C.
What is the InChIKey of 2-methyldodecane-3,5-dione?
The InChIKey is NJASAPXPNQBGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-5-6-7-8-9-12(14)10-13(15)11(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 2-methyldodecane-3,5-dione?
2-methyldodecane-3,5-dione has a molecular weight of 212.33 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldodecane-3,5-dione is sourced from PubChem (CID 62875134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).