undeca-3,4-diene-2,10-dione

C11H16O2 — CID 538547

IUPACundeca-3,4-diene-2,10-dione
SMILESCC(=O)C=C=CCCCCC(C)=O
InChIInChI=1S/C11H16O2/c1-10(12)8-6-4-3-5-7-9-11(2)13/h4,8H,3,5,7,9H2,1-2H3
InChIKeyHEXGHBSSLNIGCT-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.44
Rot. Bonds6

About undeca-3,4-diene-2,10-dione

undeca-3,4-diene-2,10-dione (PubChem CID 538547) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is undeca-3,4-diene-2,10-dione.

Molecular Properties

Compound Nameundeca-3,4-diene-2,10-dione
PubChem CID538547
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Nameundeca-3,4-diene-2,10-dione
SMILESCC(=O)C=C=CCCCCC(C)=O
InChIInChI=1S/C11H16O2/c1-10(12)8-6-4-3-5-7-9-11(2)13/h4,8H,3,5,7,9H2,1-2H3
InChIKeyHEXGHBSSLNIGCT-UHFFFAOYSA-N
XLogP2.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze undeca-3,4-diene-2,10-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

hexadec-8-ene-2,15-dione
CID 91429732
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
dodec-7-en-2-one
CID 123882998
18,18-dihydroxyoctadecan-2-one
CID 123837048
12,12-difluorododec-11-en-2-one
CID 19915358
henicos-9-en-2-one
CID 91100997
(E)-dotriacont-23-en-2-one
CID 5365248
(Z)-heptadec-7-en-2-one
CID 90307080
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
tetratriacont-20-en-2-one
CID 56637991

Frequently Asked Questions

What is the IUPAC name of undeca-3,4-diene-2,10-dione?
The IUPAC name of undeca-3,4-diene-2,10-dione (CID 538547) is undeca-3,4-diene-2,10-dione.
What is the SMILES notation for undeca-3,4-diene-2,10-dione?
The canonical SMILES for undeca-3,4-diene-2,10-dione is CC(=O)C=C=CCCCCC(C)=O.
What is the InChIKey of undeca-3,4-diene-2,10-dione?
The InChIKey is HEXGHBSSLNIGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-10(12)8-6-4-3-5-7-9-11(2)13/h4,8H,3,5,7,9H2,1-2H3.
What are the key properties of undeca-3,4-diene-2,10-dione?
undeca-3,4-diene-2,10-dione has a molecular weight of 180.25 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-3,4-diene-2,10-dione is sourced from PubChem (CID 538547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).