potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate

C15H25KO2 — CID 23666617

IUPACpotassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate
SMILESCC(/C=C/CC(C)CCCC(C)C)=C\C(=O)[O-].[K+]
InChIInChI=1S/C15H26O2.K/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17;/h6,10-13H,5,7-9H2,1-4H3,(H,16,17);/q;+1/p-1/b10-6+,14-11+;
InChIKeyQUIBYNPPTJZHPB-DLYKSEDFSA-M
MW276.46 g/mol
LogP0.10
Rot. Bonds8

About potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate

potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate (PubChem CID 23666617) has the molecular formula C15H25KO2 and a molecular weight of 276.46 g/mol. Its IUPAC name is potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate.

Molecular Properties

Compound Namepotassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate
PubChem CID23666617
Molecular FormulaC15H25KO2
Molecular Weight276.46 g/mol
Exact Mass276.15
IUPAC Namepotassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate
SMILESCC(/C=C/CC(C)CCCC(C)C)=C\C(=O)[O-].[K+]
InChIInChI=1S/C15H26O2.K/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17;/h6,10-13H,5,7-9H2,1-4H3,(H,16,17);/q;+1/p-1/b10-6+,14-11+;
InChIKeyQUIBYNPPTJZHPB-DLYKSEDFSA-M
XLogP0.10
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.46
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate with MolForge

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Related Compounds

(2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 22235072
(2E)-3,7,11-trimethyldodeca-2,4-diene
CID 175358855
(1,2,3-13C3)prop-2-ynyl (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate
CID 169439765
2,6,10,14,19,23,27,31-octamethyldotriaconta-8,10,12,14,16,18,20,22,24-nonaene
CID 85447618
hexyl (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate
CID 21437505
1-bromo-3,7,11-trimethyldodeca-2,4-diene
CID 154093071
(2E,4E)-3,7,11-trimethyltrideca-2,4-dienoyl chloride
CID 21437686
3,7,11-trimethyltrideca-2,4-dienoyl chloride
CID 54318105
ethyl (2E,4E)-3,7,10-trimethylundeca-2,4-dienoate
CID 21437517
2,6,10,15,19,23-hexamethyltetracos-12-ene
CID 154734430
7,11-dimethyldodeca-2,4-dienamide
CID 54142577
propyl (2E,4E)-3,7,11-trimethyltrideca-2,4-dienoate
CID 21437687

Frequently Asked Questions

What is the IUPAC name of potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate?
The IUPAC name of potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate (CID 23666617) is potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate.
What is the SMILES notation for potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate?
The canonical SMILES for potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate is CC(/C=C/CC(C)CCCC(C)C)=C\C(=O)[O-].[K+].
What is the InChIKey of potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate?
The InChIKey is QUIBYNPPTJZHPB-DLYKSEDFSA-M. The full InChI is InChI=1S/C15H26O2.K/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17;/h6,10-13H,5,7-9H2,1-4H3,(H,16,17);/q;+1/p-1/b10-6+,14-11+;.
What are the key properties of potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate?
potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate has a molecular weight of 276.46 g/mol, XLogP of 0.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate is sourced from PubChem (CID 23666617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).