6-nitro-9-oxodecanoic acid

C10H17NO5 — CID 10609542

IUPAC6-nitro-9-oxodecanoic acid
SMILESCC(=O)CCC(CCCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C10H17NO5/c1-8(12)6-7-9(11(15)16)4-2-3-5-10(13)14/h9H,2-7H2,1H3,(H,13,14)
InChIKeyWXLCDSJXEXEFTO-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.65
Rot. Bonds9

About 6-nitro-9-oxodecanoic acid

6-nitro-9-oxodecanoic acid (PubChem CID 10609542) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-nitro-9-oxodecanoic acid.

Molecular Properties

Compound Name6-nitro-9-oxodecanoic acid
PubChem CID10609542
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name6-nitro-9-oxodecanoic acid
SMILESCC(=O)CCC(CCCCC(=O)O)[N+](=O)[O-]
InChIInChI=1S/C10H17NO5/c1-8(12)6-7-9(11(15)16)4-2-3-5-10(13)14/h9H,2-7H2,1H3,(H,13,14)
InChIKeyWXLCDSJXEXEFTO-UHFFFAOYSA-N
XLogP1.65
TPSA97.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

12-nitroicosanoic acid
CID 89267062
4-nitrooctane-2,7-dione
CID 11019598
(5S,8S)-8-hydroxy-5-nitrononan-2-one
CID 155908639
4-nitrohexadeca-8,11,14-trienoic acid
CID 72625958
hexanedioic acid;propan-2-one
CID 158520683
6-methyl-7-oxooctanoic acid
CID 71756573
14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid
CID 129234537
10-hydroxy-9-nitroicosanoic acid
CID 89267171
λ2-plumbane;6-methylheptanoic acid
CID 175289081
6-methylheptanoic acid;vanadium
CID 174623955
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
9-nitrooctadecane
CID 87201118

Frequently Asked Questions

What is the IUPAC name of 6-nitro-9-oxodecanoic acid?
The IUPAC name of 6-nitro-9-oxodecanoic acid (CID 10609542) is 6-nitro-9-oxodecanoic acid.
What is the SMILES notation for 6-nitro-9-oxodecanoic acid?
The canonical SMILES for 6-nitro-9-oxodecanoic acid is CC(=O)CCC(CCCCC(=O)O)[N+](=O)[O-].
What is the InChIKey of 6-nitro-9-oxodecanoic acid?
The InChIKey is WXLCDSJXEXEFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-8(12)6-7-9(11(15)16)4-2-3-5-10(13)14/h9H,2-7H2,1H3,(H,13,14).
What are the key properties of 6-nitro-9-oxodecanoic acid?
6-nitro-9-oxodecanoic acid has a molecular weight of 231.25 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-9-oxodecanoic acid is sourced from PubChem (CID 10609542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).