undecane-2,4,6,8,10-pentone

C11H14O5 — CID 174158301

IUPACundecane-2,4,6,8,10-pentone
SMILESCC(=O)CC(=O)CC(=O)CC(=O)CC(C)=O
InChIInChI=1S/C11H14O5/c1-7(12)3-9(14)5-11(16)6-10(15)4-8(2)13/h3-6H2,1-2H3
InChIKeyYFPCQUMUJWZTEX-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.43
Rot. Bonds8

About undecane-2,4,6,8,10-pentone

undecane-2,4,6,8,10-pentone (PubChem CID 174158301) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is undecane-2,4,6,8,10-pentone.

Molecular Properties

Compound Nameundecane-2,4,6,8,10-pentone
PubChem CID174158301
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Nameundecane-2,4,6,8,10-pentone
SMILESCC(=O)CC(=O)CC(=O)CC(=O)CC(C)=O
InChIInChI=1S/C11H14O5/c1-7(12)3-9(14)5-11(16)6-10(15)4-8(2)13/h3-6H2,1-2H3
InChIKeyYFPCQUMUJWZTEX-UHFFFAOYSA-N
XLogP0.43
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze undecane-2,4,6,8,10-pentone 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

3,5-dioxohexanethioic S-acid
CID 54506348
3,5-dioxohexanoyl chloride
CID 130027067
Lithium pentane-2,4-dione
CID 86735745
tetrakis(3,5-dioxohexanoate);zirconium(4+)
CID 22717551
3,5-dioxo-N-sulfanylhexanamide
CID 22212934
titanium;2,4,6-trioxoheptanoic acid
CID 174769229
hexane-2,4-dione;platinum
CID 161447923
CID 87579488
CID 87579488
CID 87073525
CID 87073525
ethane;tris(pentane-2,4-dione)
CID 158826280
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
barium(2+);pentane-2,4-dione
CID 23298949

Frequently Asked Questions

What is the IUPAC name of undecane-2,4,6,8,10-pentone?
The IUPAC name of undecane-2,4,6,8,10-pentone (CID 174158301) is undecane-2,4,6,8,10-pentone.
What is the SMILES notation for undecane-2,4,6,8,10-pentone?
The canonical SMILES for undecane-2,4,6,8,10-pentone is CC(=O)CC(=O)CC(=O)CC(=O)CC(C)=O.
What is the InChIKey of undecane-2,4,6,8,10-pentone?
The InChIKey is YFPCQUMUJWZTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-7(12)3-9(14)5-11(16)6-10(15)4-8(2)13/h3-6H2,1-2H3.
What are the key properties of undecane-2,4,6,8,10-pentone?
undecane-2,4,6,8,10-pentone has a molecular weight of 226.23 g/mol, XLogP of 0.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for undecane-2,4,6,8,10-pentone is sourced from PubChem (CID 174158301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).