2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid

C12H21NO6 — CID 174406398

IUPAC2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid
SMILESCCCCCCCCC(O)(CC(=O)ON=O)C(=O)O
InChIInChI=1S/C12H21NO6/c1-2-3-4-5-6-7-8-12(17,11(15)16)9-10(14)19-13-18/h17H,2-9H2,1H3,(H,15,16)
InChIKeyHTMZXMMDYFEPHM-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.17
Rot. Bonds11

About 2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid

2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid (PubChem CID 174406398) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid
PubChem CID174406398
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Name2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid
SMILESCCCCCCCCC(O)(CC(=O)ON=O)C(=O)O
InChIInChI=1S/C12H21NO6/c1-2-3-4-5-6-7-8-12(17,11(15)16)9-10(14)19-13-18/h17H,2-9H2,1H3,(H,15,16)
InChIKeyHTMZXMMDYFEPHM-UHFFFAOYSA-N
XLogP2.17
TPSA113.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-hydroxy-2-icosylbutanedioic acid
CID 18762279
2-ethyl-2-hydroxyoctadecanoic acid
CID 23182335
2-hydroxy-2-pentyloctanoic acid
CID 18462834
(2R)-2-dodecyl-2-hydroxytricosanoic acid
CID 163058779
2-hydroxy-2-pentylheptanoic acid
CID 18462857
2-hydroxy-2-[2-(12-octyltriacontan-12-yloxy)-2-oxoethyl]butanedioic acid
CID 121437405
2-ethyl-2-hydroxyhexanoic acid
CID 20700530
2,3-dihexyl-2,3-dihydroxybutanedioic acid
CID 18506288
2,3-dihydroxy-2,3-dioctadecylbutanedioic acid
CID 87193003
2-(2-butoxy-2-oxoethyl)-4-decoxy-2-hydroxy-4-oxobutanoic acid
CID 150169432
2-hydroxy-2-(2-oxo-2-pentylperoxyethyl)butanedioic acid
CID 150843708
2-(2-decoxy-2-oxoethyl)-2-hydroxy-4-oxo-4-propoxybutanoic acid
CID 151183118

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid?
The IUPAC name of 2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid (CID 174406398) is 2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid.
What is the SMILES notation for 2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid?
The canonical SMILES for 2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid is CCCCCCCCC(O)(CC(=O)ON=O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid?
The InChIKey is HTMZXMMDYFEPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6/c1-2-3-4-5-6-7-8-12(17,11(15)16)9-10(14)19-13-18/h17H,2-9H2,1H3,(H,15,16).
What are the key properties of 2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid?
2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid has a molecular weight of 275.30 g/mol, XLogP of 2.17, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-nitrosooxy-2-oxoethyl)decanoic acid is sourced from PubChem (CID 174406398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).