(2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite

C10H19N3O6 — CID 57104673

IUPAC(2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite
SMILESCC(CON=O)CC(CCCCCON=O)ON=O
InChIInChI=1S/C10H19N3O6/c1-9(8-18-12-15)7-10(19-13-16)5-3-2-4-6-17-11-14/h9-10H,2-8H2,1H3
InChIKeyBOYXXVSEVSOIOC-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.04
Rot. Bonds14

About (2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite

(2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite (PubChem CID 57104673) has the molecular formula C10H19N3O6 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite.

Molecular Properties

Compound Name(2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite
PubChem CID57104673
Molecular FormulaC10H19N3O6
Molecular Weight277.28 g/mol
Exact Mass277.13
IUPAC Name(2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite
SMILESCC(CON=O)CC(CCCCCON=O)ON=O
InChIInChI=1S/C10H19N3O6/c1-9(8-18-12-15)7-10(19-13-16)5-3-2-4-6-17-11-14/h9-10H,2-8H2,1H3
InChIKeyBOYXXVSEVSOIOC-UHFFFAOYSA-N
XLogP3.04
TPSA115.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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CID 24687
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sodium;hydride;octan-2-yl nitrite
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1,11-dimethoxy-2-methylundecane
CID 118982395
4-(11-hexanoyloxy-9-methylheptadecoxy)-4-oxobutanoic acid
CID 155153463
trimethyl(20-methyldocosoxy)silane
CID 526068
trimethyl(22-methyltetracosoxy)silane
CID 91745133
2-formamidopropyl nitrite
CID 143381347
9-phenylnonan-2-yl nitrite
CID 174666928
8-phenyloctan-2-yl nitrite
CID 161142900
8-methylhexadecanedioyl dichloride
CID 139686539

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite?
The IUPAC name of (2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite (CID 57104673) is (2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite.
What is the SMILES notation for (2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite?
The canonical SMILES for (2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite is CC(CON=O)CC(CCCCCON=O)ON=O.
What is the InChIKey of (2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite?
The InChIKey is BOYXXVSEVSOIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O6/c1-9(8-18-12-15)7-10(19-13-16)5-3-2-4-6-17-11-14/h9-10H,2-8H2,1H3.
What are the key properties of (2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite?
(2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite has a molecular weight of 277.28 g/mol, XLogP of 3.04, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite is sourced from PubChem (CID 57104673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).