undec-1-en-10-yne-5,7-dione

C11H14O2 — CID 44552517

IUPACundec-1-en-10-yne-5,7-dione
SMILESC#CCCC(=O)CC(=O)CCC=C
InChIInChI=1S/C11H14O2/c1-3-5-7-10(12)9-11(13)8-6-4-2/h1,4H,2,5-9H2
InChIKeyRCDJLSKEMOHFHC-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.89
Rot. Bonds7

About undec-1-en-10-yne-5,7-dione

undec-1-en-10-yne-5,7-dione (PubChem CID 44552517) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is undec-1-en-10-yne-5,7-dione.

Molecular Properties

Compound Nameundec-1-en-10-yne-5,7-dione
PubChem CID44552517
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Nameundec-1-en-10-yne-5,7-dione
SMILESC#CCCC(=O)CC(=O)CCC=C
InChIInChI=1S/C11H14O2/c1-3-5-7-10(12)9-11(13)8-6-4-2/h1,4H,2,5-9H2
InChIKeyRCDJLSKEMOHFHC-UHFFFAOYSA-N
XLogP1.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze undec-1-en-10-yne-5,7-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of undec-1-en-10-yne-5,7-dione?
The IUPAC name of undec-1-en-10-yne-5,7-dione (CID 44552517) is undec-1-en-10-yne-5,7-dione.
What is the SMILES notation for undec-1-en-10-yne-5,7-dione?
The canonical SMILES for undec-1-en-10-yne-5,7-dione is C#CCCC(=O)CC(=O)CCC=C.
What is the InChIKey of undec-1-en-10-yne-5,7-dione?
The InChIKey is RCDJLSKEMOHFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-5-7-10(12)9-11(13)8-6-4-2/h1,4H,2,5-9H2.
What are the key properties of undec-1-en-10-yne-5,7-dione?
undec-1-en-10-yne-5,7-dione has a molecular weight of 178.23 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-1-en-10-yne-5,7-dione is sourced from PubChem (CID 44552517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).