nitroso 3,7-dimethylocta-2,6-dienoate

C10H15NO3 — CID 91296458

IUPACnitroso 3,7-dimethylocta-2,6-dienoate
SMILESCC(C)=CCCC(C)=CC(=O)ON=O
InChIInChI=1S/C10H15NO3/c1-8(2)5-4-6-9(3)7-10(12)14-11-13/h5,7H,4,6H2,1-3H3
InChIKeyGBSBUYQTWVGRDG-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.90
Rot. Bonds5

About nitroso 3,7-dimethylocta-2,6-dienoate

nitroso 3,7-dimethylocta-2,6-dienoate (PubChem CID 91296458) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is nitroso 3,7-dimethylocta-2,6-dienoate.

Molecular Properties

Compound Namenitroso 3,7-dimethylocta-2,6-dienoate
PubChem CID91296458
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namenitroso 3,7-dimethylocta-2,6-dienoate
SMILESCC(C)=CCCC(C)=CC(=O)ON=O
InChIInChI=1S/C10H15NO3/c1-8(2)5-4-6-9(3)7-10(12)14-11-13/h5,7H,4,6H2,1-3H3
InChIKeyGBSBUYQTWVGRDG-UHFFFAOYSA-N
XLogP2.90
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-3,7-dimethylocta-2,6-dieneperoxoate
CID 155204253
acetyl (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
CID 146405929
ethyl (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
CID 5366011
ethyl 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenoate
CID 57102795
ethyl (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoate
CID 53482566
barium(2+);bis((2Z)-3,7-dimethylocta-2,6-dienoate)
CID 175905407
ethyl (2E)-3,8-dimethylnona-2,7-dienoate
CID 129216296
4-hydroxybutyl (2E)-3,7-dimethylocta-2,6-dienoate
CID 137492210
tetrakis((2E)-3,7-dimethylocta-2,6-dienoate);molybdenum(4+)
CID 175882289
(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
[(2Z,6Z,10Z,14Z,18Z,22E,26E,30E)-32-[(2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenoyl]oxy-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl] (2Z,6Z,10Z,14Z,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenoate
CID 11194245
[3-[(2E)-3,7-dimethylocta-2,6-dienoyl]oxy-2-hydroxypropyl]-trimethylazanium
CID 118183203

Frequently Asked Questions

What is the IUPAC name of nitroso 3,7-dimethylocta-2,6-dienoate?
The IUPAC name of nitroso 3,7-dimethylocta-2,6-dienoate (CID 91296458) is nitroso 3,7-dimethylocta-2,6-dienoate.
What is the SMILES notation for nitroso 3,7-dimethylocta-2,6-dienoate?
The canonical SMILES for nitroso 3,7-dimethylocta-2,6-dienoate is CC(C)=CCCC(C)=CC(=O)ON=O.
What is the InChIKey of nitroso 3,7-dimethylocta-2,6-dienoate?
The InChIKey is GBSBUYQTWVGRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-8(2)5-4-6-9(3)7-10(12)14-11-13/h5,7H,4,6H2,1-3H3.
What are the key properties of nitroso 3,7-dimethylocta-2,6-dienoate?
nitroso 3,7-dimethylocta-2,6-dienoate has a molecular weight of 197.23 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso 3,7-dimethylocta-2,6-dienoate is sourced from PubChem (CID 91296458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).