2,2-dimethylpentadecane-3,4,10-trione

C17H30O3 — CID 90697846

IUPAC2,2-dimethylpentadecane-3,4,10-trione
SMILESCCCCCC(=O)CCCCCC(=O)C(=O)C(C)(C)C
InChIInChI=1S/C17H30O3/c1-5-6-8-11-14(18)12-9-7-10-13-15(19)16(20)17(2,3)4/h5-13H2,1-4H3
InChIKeyJEFYMNBPSCJPCY-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.27
Rot. Bonds11

About 2,2-dimethylpentadecane-3,4,10-trione

2,2-dimethylpentadecane-3,4,10-trione (PubChem CID 90697846) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is 2,2-dimethylpentadecane-3,4,10-trione.

Molecular Properties

Compound Name2,2-dimethylpentadecane-3,4,10-trione
PubChem CID90697846
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name2,2-dimethylpentadecane-3,4,10-trione
SMILESCCCCCC(=O)CCCCCC(=O)C(=O)C(C)(C)C
InChIInChI=1S/C17H30O3/c1-5-6-8-11-14(18)12-9-7-10-13-15(19)16(20)17(2,3)4/h5-13H2,1-4H3
InChIKeyJEFYMNBPSCJPCY-UHFFFAOYSA-N
XLogP4.27
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethylpentadecane-3,4,10-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentacosane-7,19-dione
CID 139254510
nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687
dodecan-5-one
CID 29771
3-ethyl-3-methylundecane-4,5-dione
CID 171060219
ethene;tridecan-7-one
CID 159715360
octadecan-4-one
CID 551672
icosane-4,15-dione
CID 123287171

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpentadecane-3,4,10-trione?
The IUPAC name of 2,2-dimethylpentadecane-3,4,10-trione (CID 90697846) is 2,2-dimethylpentadecane-3,4,10-trione.
What is the SMILES notation for 2,2-dimethylpentadecane-3,4,10-trione?
The canonical SMILES for 2,2-dimethylpentadecane-3,4,10-trione is CCCCCC(=O)CCCCCC(=O)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethylpentadecane-3,4,10-trione?
The InChIKey is JEFYMNBPSCJPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-5-6-8-11-14(18)12-9-7-10-13-15(19)16(20)17(2,3)4/h5-13H2,1-4H3.
What are the key properties of 2,2-dimethylpentadecane-3,4,10-trione?
2,2-dimethylpentadecane-3,4,10-trione has a molecular weight of 282.42 g/mol, XLogP of 4.27, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpentadecane-3,4,10-trione is sourced from PubChem (CID 90697846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).