undec-1-ene-1,9-dione

C11H18O2 — CID 175425395

IUPACundec-1-ene-1,9-dione
SMILESCCC(=O)CCCCCCC=C=O
InChIInChI=1S/C11H18O2/c1-2-11(13)9-7-5-3-4-6-8-10-12/h8H,2-7,9H2,1H3
InChIKeyOJKLCZCKXZTIAZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds8

About undec-1-ene-1,9-dione

undec-1-ene-1,9-dione (PubChem CID 175425395) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is undec-1-ene-1,9-dione.

Molecular Properties

Compound Nameundec-1-ene-1,9-dione
PubChem CID175425395
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameundec-1-ene-1,9-dione
SMILESCCC(=O)CCCCCCC=C=O
InChIInChI=1S/C11H18O2/c1-2-11(13)9-7-5-3-4-6-8-10-12/h8H,2-7,9H2,1H3
InChIKeyOJKLCZCKXZTIAZ-UHFFFAOYSA-N
XLogP2.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodec-1-ene-1,9-dione
CID 175604884
tetracos-1-ene-1,13-dione
CID 173037272
8-oxodecanal
CID 118225653
(E)-undec-9-en-3-one
CID 22074109
methane;undecane-3,9-dione
CID 158816586
pentadec-10-en-3-one
CID 175973732
1-hydroxydodecane-2,10-dione
CID 158814981
10-oxododec-2-enal
CID 175604866
decan-3-one;hydrochloride
CID 22446547
tetracosane-3,13-dione
CID 143607999
9-oxoundecanoic acid
CID 5282986
pentadecane-2,13-dione
CID 58143587

Frequently Asked Questions

What is the IUPAC name of undec-1-ene-1,9-dione?
The IUPAC name of undec-1-ene-1,9-dione (CID 175425395) is undec-1-ene-1,9-dione.
What is the SMILES notation for undec-1-ene-1,9-dione?
The canonical SMILES for undec-1-ene-1,9-dione is CCC(=O)CCCCCCC=C=O.
What is the InChIKey of undec-1-ene-1,9-dione?
The InChIKey is OJKLCZCKXZTIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-11(13)9-7-5-3-4-6-8-10-12/h8H,2-7,9H2,1H3.
What are the key properties of undec-1-ene-1,9-dione?
undec-1-ene-1,9-dione has a molecular weight of 182.26 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undec-1-ene-1,9-dione is sourced from PubChem (CID 175425395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).