(6E)-9-chloro-2,6-dimethylnona-2,6-diene

C11H19Cl — CID 101240427

IUPAC(6E)-9-chloro-2,6-dimethylnona-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CCCl
InChIInChI=1S/C11H19Cl/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7,9H2,1-3H3/b11-8+
InChIKeyFYRLSUNCRIPDKG-DHZHZOJOSA-N
MW186.73 g/mol
LogP4.31
Rot. Bonds5

About (6E)-9-chloro-2,6-dimethylnona-2,6-diene

(6E)-9-chloro-2,6-dimethylnona-2,6-diene (PubChem CID 101240427) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is (6E)-9-chloro-2,6-dimethylnona-2,6-diene.

Molecular Properties

Compound Name(6E)-9-chloro-2,6-dimethylnona-2,6-diene
PubChem CID101240427
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name(6E)-9-chloro-2,6-dimethylnona-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CCCl
InChIInChI=1S/C11H19Cl/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7,9H2,1-3H3/b11-8+
InChIKeyFYRLSUNCRIPDKG-DHZHZOJOSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 54.31
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

(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
12-chloro-2,6,10-trimethyldodeca-2,6,9-triene
CID 176889443
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(2E)-1-chloro-1-deuterio-3,7-dimethylocta-2,6-diene
CID 10535222
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438

Frequently Asked Questions

What is the IUPAC name of (6E)-9-chloro-2,6-dimethylnona-2,6-diene?
The IUPAC name of (6E)-9-chloro-2,6-dimethylnona-2,6-diene (CID 101240427) is (6E)-9-chloro-2,6-dimethylnona-2,6-diene.
What is the SMILES notation for (6E)-9-chloro-2,6-dimethylnona-2,6-diene?
The canonical SMILES for (6E)-9-chloro-2,6-dimethylnona-2,6-diene is CC(C)=CCC/C(C)=C/CCCl.
What is the InChIKey of (6E)-9-chloro-2,6-dimethylnona-2,6-diene?
The InChIKey is FYRLSUNCRIPDKG-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H19Cl/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7,9H2,1-3H3/b11-8+.
What are the key properties of (6E)-9-chloro-2,6-dimethylnona-2,6-diene?
(6E)-9-chloro-2,6-dimethylnona-2,6-diene has a molecular weight of 186.73 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-9-chloro-2,6-dimethylnona-2,6-diene is sourced from PubChem (CID 101240427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).