2-methyldecane-3,5-dione

C11H20O2 — CID 62875136

IUPAC2-methyldecane-3,5-dione
SMILESCCCCCC(=O)CC(=O)C(C)C
InChIInChI=1S/C11H20O2/c1-4-5-6-7-10(12)8-11(13)9(2)3/h9H,4-8H2,1-3H3
InChIKeyAYDOUNLQUOXLNB-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.75
Rot. Bonds7

About 2-methyldecane-3,5-dione

2-methyldecane-3,5-dione (PubChem CID 62875136) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyldecane-3,5-dione.

Molecular Properties

Compound Name2-methyldecane-3,5-dione
PubChem CID62875136
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyldecane-3,5-dione
SMILESCCCCCC(=O)CC(=O)C(C)C
InChIInChI=1S/C11H20O2/c1-4-5-6-7-10(12)8-11(13)9(2)3/h9H,4-8H2,1-3H3
InChIKeyAYDOUNLQUOXLNB-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyldodecane-3,5-dione
CID 62875134
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
2-hydroxynon-1-en-4-one
CID 87923042
tetradecane-3,5-dione
CID 140998856

Frequently Asked Questions

What is the IUPAC name of 2-methyldecane-3,5-dione?
The IUPAC name of 2-methyldecane-3,5-dione (CID 62875136) is 2-methyldecane-3,5-dione.
What is the SMILES notation for 2-methyldecane-3,5-dione?
The canonical SMILES for 2-methyldecane-3,5-dione is CCCCCC(=O)CC(=O)C(C)C.
What is the InChIKey of 2-methyldecane-3,5-dione?
The InChIKey is AYDOUNLQUOXLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-7-10(12)8-11(13)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 2-methyldecane-3,5-dione?
2-methyldecane-3,5-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 2-methyldecane-3,5-dione is sourced from PubChem (CID 62875136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).