2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene

C15H25NO — CID 54261017

IUPAC2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene
SMILESCC(C)=CCCC(C)=CCC=C(C)CCN=O
InChIInChI=1S/C15H25NO/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16-17/h7,9-10H,5-6,8,11-12H2,1-4H3
InChIKeyRDMYYGCUZPHSIA-UHFFFAOYSA-N
MW235.37 g/mol
LogP5.17
Rot. Bonds8

About 2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene

2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene (PubChem CID 54261017) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene.

Molecular Properties

Compound Name2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene
PubChem CID54261017
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene
SMILESCC(C)=CCCC(C)=CCC=C(C)CCN=O
InChIInChI=1S/C15H25NO/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16-17/h7,9-10H,5-6,8,11-12H2,1-4H3
InChIKeyRDMYYGCUZPHSIA-UHFFFAOYSA-N
XLogP5.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene
CID 118054389
12-chloro-2,6,10-trimethyldodeca-2,6,9-triene
CID 176889443
(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
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(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
3,7-dimethylocta-2,6-dienal
CID 8843
1-iodo-5,9-dimethyldeca-1,4,8-triene
CID 173018120
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859

Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene?
The IUPAC name of 2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene (CID 54261017) is 2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene.
What is the SMILES notation for 2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene?
The canonical SMILES for 2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene is CC(C)=CCCC(C)=CCC=C(C)CCN=O.
What is the InChIKey of 2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene?
The InChIKey is RDMYYGCUZPHSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16-17/h7,9-10H,5-6,8,11-12H2,1-4H3.
What are the key properties of 2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene?
2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene has a molecular weight of 235.37 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene is sourced from PubChem (CID 54261017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).