(5E)-5-(2-oxododec-11-enylidene)furan-2-one

C16H22O3 — CID 132606207

IUPAC(5E)-5-(2-oxododec-11-enylidene)furan-2-one
SMILESC=CCCCCCCCCC(=O)/C=C1\C=CC(=O)O1
InChIInChI=1S/C16H22O3/c1-2-3-4-5-6-7-8-9-10-14(17)13-15-11-12-16(18)19-15/h2,11-13H,1,3-10H2/b15-13+
InChIKeyRAZKNZBAFMDKBS-FYWRMAATSA-N
MW262.35 g/mol
LogP3.86
Rot. Bonds10

About (5E)-5-(2-oxododec-11-enylidene)furan-2-one

(5E)-5-(2-oxododec-11-enylidene)furan-2-one (PubChem CID 132606207) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (5E)-5-(2-oxododec-11-enylidene)furan-2-one.

Molecular Properties

Compound Name(5E)-5-(2-oxododec-11-enylidene)furan-2-one
PubChem CID132606207
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(5E)-5-(2-oxododec-11-enylidene)furan-2-one
SMILESC=CCCCCCCCCC(=O)/C=C1\C=CC(=O)O1
InChIInChI=1S/C16H22O3/c1-2-3-4-5-6-7-8-9-10-14(17)13-15-11-12-16(18)19-15/h2,11-13H,1,3-10H2/b15-13+
InChIKeyRAZKNZBAFMDKBS-FYWRMAATSA-N
XLogP3.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

furan-2,5-dione;hexadec-1-ene
CID 87102971
furan-2,5-dione;oct-1-ene
CID 86738184
undeca-1,10-dien-3-one
CID 152625957
deca-1,9-dien-3-one
CID 21443589
1-cyclohexylidenenon-8-en-2-one
CID 107008455
tricosa-1,22-dien-12-one
CID 86210796
hept-6-enoic acid;undec-10-enoic acid
CID 87675195
tritriacont-32-enoic acid
CID 54063641
nonadec-18-enamide
CID 166991988
octadec-17-enoic acid
CID 5312444
nonadec-18-enoic acid
CID 543857
3-undec-10-enoylchromene-2,4-dione
CID 11232709

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(2-oxododec-11-enylidene)furan-2-one?
The IUPAC name of (5E)-5-(2-oxododec-11-enylidene)furan-2-one (CID 132606207) is (5E)-5-(2-oxododec-11-enylidene)furan-2-one.
What is the SMILES notation for (5E)-5-(2-oxododec-11-enylidene)furan-2-one?
The canonical SMILES for (5E)-5-(2-oxododec-11-enylidene)furan-2-one is C=CCCCCCCCCC(=O)/C=C1\C=CC(=O)O1.
What is the InChIKey of (5E)-5-(2-oxododec-11-enylidene)furan-2-one?
The InChIKey is RAZKNZBAFMDKBS-FYWRMAATSA-N. The full InChI is InChI=1S/C16H22O3/c1-2-3-4-5-6-7-8-9-10-14(17)13-15-11-12-16(18)19-15/h2,11-13H,1,3-10H2/b15-13+.
What are the key properties of (5E)-5-(2-oxododec-11-enylidene)furan-2-one?
(5E)-5-(2-oxododec-11-enylidene)furan-2-one has a molecular weight of 262.35 g/mol, XLogP of 3.86, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(2-oxododec-11-enylidene)furan-2-one is sourced from PubChem (CID 132606207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).