(6E)-2,6-dimethyl-9-nitronona-2,6-diene

C11H19NO2 — CID 10535934

IUPAC(6E)-2,6-dimethyl-9-nitronona-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CC[N+](=O)[O-]
InChIInChI=1S/C11H19NO2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h6,8H,4-5,7,9H2,1-3H3/b11-8+
InChIKeyJHESGIAMLSOIRK-DHZHZOJOSA-N
MW197.28 g/mol
LogP3.35
Rot. Bonds6

About (6E)-2,6-dimethyl-9-nitronona-2,6-diene

(6E)-2,6-dimethyl-9-nitronona-2,6-diene (PubChem CID 10535934) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (6E)-2,6-dimethyl-9-nitronona-2,6-diene.

Molecular Properties

Compound Name(6E)-2,6-dimethyl-9-nitronona-2,6-diene
PubChem CID10535934
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(6E)-2,6-dimethyl-9-nitronona-2,6-diene
SMILESCC(C)=CCC/C(C)=C/CC[N+](=O)[O-]
InChIInChI=1S/C11H19NO2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h6,8H,4-5,7,9H2,1-3H3/b11-8+
InChIKeyJHESGIAMLSOIRK-DHZHZOJOSA-N
XLogP3.35
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(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
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053

Frequently Asked Questions

What is the IUPAC name of (6E)-2,6-dimethyl-9-nitronona-2,6-diene?
The IUPAC name of (6E)-2,6-dimethyl-9-nitronona-2,6-diene (CID 10535934) is (6E)-2,6-dimethyl-9-nitronona-2,6-diene.
What is the SMILES notation for (6E)-2,6-dimethyl-9-nitronona-2,6-diene?
The canonical SMILES for (6E)-2,6-dimethyl-9-nitronona-2,6-diene is CC(C)=CCC/C(C)=C/CC[N+](=O)[O-].
What is the InChIKey of (6E)-2,6-dimethyl-9-nitronona-2,6-diene?
The InChIKey is JHESGIAMLSOIRK-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2)6-4-7-11(3)8-5-9-12(13)14/h6,8H,4-5,7,9H2,1-3H3/b11-8+.
What are the key properties of (6E)-2,6-dimethyl-9-nitronona-2,6-diene?
(6E)-2,6-dimethyl-9-nitronona-2,6-diene has a molecular weight of 197.28 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-2,6-dimethyl-9-nitronona-2,6-diene is sourced from PubChem (CID 10535934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).