1-iodo-10,10-dimethylundecane-2,9-dione

C13H23IO2 — CID 157286345

IUPAC1-iodo-10,10-dimethylundecane-2,9-dione
SMILESCC(C)(C)C(=O)CCCCCCC(=O)CI
InChIInChI=1S/C13H23IO2/c1-13(2,3)12(16)9-7-5-4-6-8-11(15)10-14/h4-10H2,1-3H3
InChIKeyHVNJYRFDJNXVAL-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.95
Rot. Bonds8

About 1-iodo-10,10-dimethylundecane-2,9-dione

1-iodo-10,10-dimethylundecane-2,9-dione (PubChem CID 157286345) has the molecular formula C13H23IO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 1-iodo-10,10-dimethylundecane-2,9-dione.

Molecular Properties

Compound Name1-iodo-10,10-dimethylundecane-2,9-dione
PubChem CID157286345
Molecular FormulaC13H23IO2
Molecular Weight338.23 g/mol
Exact Mass338.07
IUPAC Name1-iodo-10,10-dimethylundecane-2,9-dione
SMILESCC(C)(C)C(=O)CCCCCCC(=O)CI
InChIInChI=1S/C13H23IO2/c1-13(2,3)12(16)9-7-5-4-6-8-11(15)10-14/h4-10H2,1-3H3
InChIKeyHVNJYRFDJNXVAL-UHFFFAOYSA-N
XLogP3.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-iodo-10,10-dimethylundecane-2,9-dione 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

2,2,14,14-tetramethylpentadecane-3,11-dione
CID 162694763
17,17-dimethyl-16-oxooctadecanoic acid
CID 139546409
11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione
CID 158079491
2,13,13-trimethyl-6,12-dioxotetradecanal
CID 57233861
N-tert-butyl-11,11-dimethyl-10-oxododecanamide
CID 176809093
2,2-dimethyloctadecan-3-one;hexadecanoic acid
CID 159228095
14-(tert-butylamino)-2,2-dimethyltetradecan-3-one
CID 58895700
8-(tert-butylamino)-2,2-dimethyloctan-3-one
CID 58895617
7-methoxy-2,2-dimethylheptan-3-one
CID 58592140
N,7,7-trimethyl-6-oxooctanamide
CID 149454970
2,2-dimethyl-7-trimethylsilylheptan-3-one
CID 23525952
6-(5,5-dimethyl-4-oxohexoxy)-2,2-dimethylhexan-3-one
CID 148963643

Frequently Asked Questions

What is the IUPAC name of 1-iodo-10,10-dimethylundecane-2,9-dione?
The IUPAC name of 1-iodo-10,10-dimethylundecane-2,9-dione (CID 157286345) is 1-iodo-10,10-dimethylundecane-2,9-dione.
What is the SMILES notation for 1-iodo-10,10-dimethylundecane-2,9-dione?
The canonical SMILES for 1-iodo-10,10-dimethylundecane-2,9-dione is CC(C)(C)C(=O)CCCCCCC(=O)CI.
What is the InChIKey of 1-iodo-10,10-dimethylundecane-2,9-dione?
The InChIKey is HVNJYRFDJNXVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IO2/c1-13(2,3)12(16)9-7-5-4-6-8-11(15)10-14/h4-10H2,1-3H3.
What are the key properties of 1-iodo-10,10-dimethylundecane-2,9-dione?
1-iodo-10,10-dimethylundecane-2,9-dione has a molecular weight of 338.23 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-10,10-dimethylundecane-2,9-dione is sourced from PubChem (CID 157286345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).