(3E,11E)-tetradeca-3,11-diene-2,13-dione

C14H22O2 — CID 24974321

IUPAC(3E,11E)-tetradeca-3,11-diene-2,13-dione
SMILESCC(=O)/C=C/CCCCCC/C=C/C(C)=O
InChIInChI=1S/C14H22O2/c1-13(15)11-9-7-5-3-4-6-8-10-12-14(2)16/h9-12H,3-8H2,1-2H3/b11-9+,12-10+
InChIKeyDUSXNMUAKGWBEC-WGDLNXRISA-N
MW222.33 g/mol
LogP3.62
Rot. Bonds9

About (3E,11E)-tetradeca-3,11-diene-2,13-dione

(3E,11E)-tetradeca-3,11-diene-2,13-dione (PubChem CID 24974321) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (3E,11E)-tetradeca-3,11-diene-2,13-dione.

Molecular Properties

Compound Name(3E,11E)-tetradeca-3,11-diene-2,13-dione
PubChem CID24974321
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(3E,11E)-tetradeca-3,11-diene-2,13-dione
SMILESCC(=O)/C=C/CCCCCC/C=C/C(C)=O
InChIInChI=1S/C14H22O2/c1-13(15)11-9-7-5-3-4-6-8-10-12-14(2)16/h9-12H,3-8H2,1-2H3/b11-9+,12-10+
InChIKeyDUSXNMUAKGWBEC-WGDLNXRISA-N
XLogP3.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.62
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'}

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Frequently Asked Questions

What is the IUPAC name of (3E,11E)-tetradeca-3,11-diene-2,13-dione?
The IUPAC name of (3E,11E)-tetradeca-3,11-diene-2,13-dione (CID 24974321) is (3E,11E)-tetradeca-3,11-diene-2,13-dione.
What is the SMILES notation for (3E,11E)-tetradeca-3,11-diene-2,13-dione?
The canonical SMILES for (3E,11E)-tetradeca-3,11-diene-2,13-dione is CC(=O)/C=C/CCCCCC/C=C/C(C)=O.
What is the InChIKey of (3E,11E)-tetradeca-3,11-diene-2,13-dione?
The InChIKey is DUSXNMUAKGWBEC-WGDLNXRISA-N. The full InChI is InChI=1S/C14H22O2/c1-13(15)11-9-7-5-3-4-6-8-10-12-14(2)16/h9-12H,3-8H2,1-2H3/b11-9+,12-10+.
What are the key properties of (3E,11E)-tetradeca-3,11-diene-2,13-dione?
(3E,11E)-tetradeca-3,11-diene-2,13-dione has a molecular weight of 222.33 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,11E)-tetradeca-3,11-diene-2,13-dione is sourced from PubChem (CID 24974321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).