5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride

C17H27ClO — CID 54440908

IUPAC5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(=O)Cl
InChIInChI=1S/C17H27ClO/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h8,10,12H,5-7,9,11,13H2,1-4H3
InChIKeyWOAFHTKZUQDUJD-UHFFFAOYSA-N
MW282.86 g/mol
LogP5.95
Rot. Bonds9

About 5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride

5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride (PubChem CID 54440908) has the molecular formula C17H27ClO and a molecular weight of 282.86 g/mol. Its IUPAC name is 5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride.

Molecular Properties

Compound Name5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride
PubChem CID54440908
Molecular FormulaC17H27ClO
Molecular Weight282.86 g/mol
Exact Mass282.18
IUPAC Name5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(=O)Cl
InChIInChI=1S/C17H27ClO/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h8,10,12H,5-7,9,11,13H2,1-4H3
InChIKeyWOAFHTKZUQDUJD-UHFFFAOYSA-N
XLogP5.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.86
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
CID 57199796
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(2E,6E,10E,14E,18E,22E,26E,30E,34E)-1-chloro-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaene
CID 13174780
5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
CID 173416553
bromo 5,9-dimethyldeca-4,8-dienoate
CID 54185288
(6E)-9-chloro-2,6-dimethylnona-2,6-diene
CID 101240427

Frequently Asked Questions

What is the IUPAC name of 5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride?
The IUPAC name of 5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride (CID 54440908) is 5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride.
What is the SMILES notation for 5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride?
The canonical SMILES for 5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride is CC(C)=CCCC(C)=CCCC(C)=CCCC(=O)Cl.
What is the InChIKey of 5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride?
The InChIKey is WOAFHTKZUQDUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClO/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-17(18)19/h8,10,12H,5-7,9,11,13H2,1-4H3.
What are the key properties of 5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride?
5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride has a molecular weight of 282.86 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride is sourced from PubChem (CID 54440908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).