undeca-8,10-diene-3,5-dione

C11H16O2 — CID 175508843

IUPACundeca-8,10-diene-3,5-dione
SMILESC=CC=CCCC(=O)CC(=O)CC
InChIInChI=1S/C11H16O2/c1-3-5-6-7-8-11(13)9-10(12)4-2/h3,5-6H,1,4,7-9H2,2H3
InChIKeyISQUWHWIQYBAER-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.45
Rot. Bonds7

About undeca-8,10-diene-3,5-dione

undeca-8,10-diene-3,5-dione (PubChem CID 175508843) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is undeca-8,10-diene-3,5-dione.

Molecular Properties

Compound Nameundeca-8,10-diene-3,5-dione
PubChem CID175508843
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Nameundeca-8,10-diene-3,5-dione
SMILESC=CC=CCCC(=O)CC(=O)CC
InChIInChI=1S/C11H16O2/c1-3-5-6-7-8-11(13)9-10(12)4-2/h3,5-6H,1,4,7-9H2,2H3
InChIKeyISQUWHWIQYBAER-UHFFFAOYSA-N
XLogP2.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze undeca-8,10-diene-3,5-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

deca-7,9-dien-3-one
CID 141369431
tetradeca-1,3-dien-7-one
CID 140791016
methyl hepta-4,6-dienoate
CID 53405107
methyl (2E,11E)-7-oxotetradeca-2,11,13-trienoate
CID 10868711
(11Z)-tetradeca-11,13-dien-4-one
CID 141483115
trideca-5,7,10,12-tetraen-2-one
CID 175909143
N-hexa-3,5-dienylacetamide
CID 59663062
(3Z)-hepta-1,3-diene
CID 6427773
(5E)-octa-5,7-dienamide
CID 15011834
2-amino-N-methylacetamide;(3E)-hepta-1,3-diene
CID 166554163
ethyl (2E,8E)-undeca-2,8,10-trienoate
CID 15013142
ethyl (6Z)-nona-6,8-dienoate
CID 11001790

Frequently Asked Questions

What is the IUPAC name of undeca-8,10-diene-3,5-dione?
The IUPAC name of undeca-8,10-diene-3,5-dione (CID 175508843) is undeca-8,10-diene-3,5-dione.
What is the SMILES notation for undeca-8,10-diene-3,5-dione?
The canonical SMILES for undeca-8,10-diene-3,5-dione is C=CC=CCCC(=O)CC(=O)CC.
What is the InChIKey of undeca-8,10-diene-3,5-dione?
The InChIKey is ISQUWHWIQYBAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-5-6-7-8-11(13)9-10(12)4-2/h3,5-6H,1,4,7-9H2,2H3.
What are the key properties of undeca-8,10-diene-3,5-dione?
undeca-8,10-diene-3,5-dione has a molecular weight of 180.25 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undeca-8,10-diene-3,5-dione is sourced from PubChem (CID 175508843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).