12-chloro-2,6,10-trimethyldodeca-2,6,9-triene

C15H25Cl — CID 176889443

IUPAC12-chloro-2,6,10-trimethyldodeca-2,6,9-triene
SMILESCC(C)=CCCC(C)=CCC=C(C)CCCl
InChIInChI=1S/C15H25Cl/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9-10H,5-6,8,11-12H2,1-4H3
InChIKeyJJAUYFRVTKKJJQ-UHFFFAOYSA-N
MW240.82 g/mol
LogP5.64
Rot. Bonds7

About 12-chloro-2,6,10-trimethyldodeca-2,6,9-triene

12-chloro-2,6,10-trimethyldodeca-2,6,9-triene (PubChem CID 176889443) has the molecular formula C15H25Cl and a molecular weight of 240.82 g/mol. Its IUPAC name is 12-chloro-2,6,10-trimethyldodeca-2,6,9-triene.

Molecular Properties

Compound Name12-chloro-2,6,10-trimethyldodeca-2,6,9-triene
PubChem CID176889443
Molecular FormulaC15H25Cl
Molecular Weight240.82 g/mol
Exact Mass240.16
IUPAC Name12-chloro-2,6,10-trimethyldodeca-2,6,9-triene
SMILESCC(C)=CCCC(C)=CCC=C(C)CCCl
InChIInChI=1S/C15H25Cl/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9-10H,5-6,8,11-12H2,1-4H3
InChIKeyJJAUYFRVTKKJJQ-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.82
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6E)-9-chloro-2,6-dimethylnona-2,6-diene
CID 101240427
(10E)-13-chloro-2,6,10-trimethyltrideca-2,6,10-triene
CID 118038499
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(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
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(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
(2E)-1-chloro-1-deuterio-3,7-dimethylocta-2,6-diene
CID 10535222
2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene
CID 54261017
(2E,4E,7E)-4,8,12-trimethyltrideca-2,4,7,11-tetraene
CID 10465989
methane;(6E,9E)-2,6,10,11,11-pentamethyldodeca-2,6,9-triene
CID 159897256

Frequently Asked Questions

What is the IUPAC name of 12-chloro-2,6,10-trimethyldodeca-2,6,9-triene?
The IUPAC name of 12-chloro-2,6,10-trimethyldodeca-2,6,9-triene (CID 176889443) is 12-chloro-2,6,10-trimethyldodeca-2,6,9-triene.
What is the SMILES notation for 12-chloro-2,6,10-trimethyldodeca-2,6,9-triene?
The canonical SMILES for 12-chloro-2,6,10-trimethyldodeca-2,6,9-triene is CC(C)=CCCC(C)=CCC=C(C)CCCl.
What is the InChIKey of 12-chloro-2,6,10-trimethyldodeca-2,6,9-triene?
The InChIKey is JJAUYFRVTKKJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Cl/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9-10H,5-6,8,11-12H2,1-4H3.
What are the key properties of 12-chloro-2,6,10-trimethyldodeca-2,6,9-triene?
12-chloro-2,6,10-trimethyldodeca-2,6,9-triene has a molecular weight of 240.82 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-chloro-2,6,10-trimethyldodeca-2,6,9-triene is sourced from PubChem (CID 176889443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).