2-ethyl-2-nitrooctan-1-ol;nitric acid

C10H22N2O6 — CID 88722993

IUPAC2-ethyl-2-nitrooctan-1-ol;nitric acid
SMILESCCCCCCC(CC)(CO)[N+](=O)[O-].O=[N+]([O-])O
InChIInChI=1S/C10H21NO3.HNO3/c1-3-5-6-7-8-10(4-2,9-12)11(13)14;2-1(3)4/h12H,3-9H2,1-2H3;(H,2,3,4)
InChIKeyFAVMNCCFTHLQTF-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.03
Rot. Bonds8

About 2-ethyl-2-nitrooctan-1-ol;nitric acid

2-ethyl-2-nitrooctan-1-ol;nitric acid (PubChem CID 88722993) has the molecular formula C10H22N2O6 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-ethyl-2-nitrooctan-1-ol;nitric acid.

Molecular Properties

Compound Name2-ethyl-2-nitrooctan-1-ol;nitric acid
PubChem CID88722993
Molecular FormulaC10H22N2O6
Molecular Weight266.29 g/mol
Exact Mass266.15
IUPAC Name2-ethyl-2-nitrooctan-1-ol;nitric acid
SMILESCCCCCCC(CC)(CO)[N+](=O)[O-].O=[N+]([O-])O
InChIInChI=1S/C10H21NO3.HNO3/c1-3-5-6-7-8-10(4-2,9-12)11(13)14;2-1(3)4/h12H,3-9H2,1-2H3;(H,2,3,4)
InChIKeyFAVMNCCFTHLQTF-UHFFFAOYSA-N
XLogP2.03
TPSA126.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-hexyl-2-nitrononan-1-ol
CID 87201075
2-nitro-2-propyloctan-1-ol
CID 87201120
2-nitro-2-pentylheptan-1-ol
CID 87201094
2-butyl-2-nitroheptan-1-ol
CID 87201188
2-methyl-2-nitrooctadecan-1-ol;nitric acid
CID 88682090
2-hexyl-2-nitropropane-1,3-diol;2-nitropentan-1-ol
CID 87201338
2-ethyl-2-nitropropane-1,3-diol;hexane-1,6-diamine
CID 131729996
2-methyl-2-nitropentadecan-1-ol
CID 87201114
ethanamine;2-(hydroxymethyl)-2-nitropropane-1,3-diol
CID 174743250
tris(nitric acid);tris(octan-1-amine)
CID 173444772
N-dodecyl-N-heptyldodecan-1-amine;nitric acid
CID 175333869
CID 174619786
CID 174619786

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-nitrooctan-1-ol;nitric acid?
The IUPAC name of 2-ethyl-2-nitrooctan-1-ol;nitric acid (CID 88722993) is 2-ethyl-2-nitrooctan-1-ol;nitric acid.
What is the SMILES notation for 2-ethyl-2-nitrooctan-1-ol;nitric acid?
The canonical SMILES for 2-ethyl-2-nitrooctan-1-ol;nitric acid is CCCCCCC(CC)(CO)[N+](=O)[O-].O=[N+]([O-])O.
What is the InChIKey of 2-ethyl-2-nitrooctan-1-ol;nitric acid?
The InChIKey is FAVMNCCFTHLQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3.HNO3/c1-3-5-6-7-8-10(4-2,9-12)11(13)14;2-1(3)4/h12H,3-9H2,1-2H3;(H,2,3,4).
What are the key properties of 2-ethyl-2-nitrooctan-1-ol;nitric acid?
2-ethyl-2-nitrooctan-1-ol;nitric acid has a molecular weight of 266.29 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-nitrooctan-1-ol;nitric acid is sourced from PubChem (CID 88722993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).