nitroso 2-methyldecanoate

C11H21NO3 — CID 174579613

IUPACnitroso 2-methyldecanoate
SMILESCCCCCCCCC(C)C(=O)ON=O
InChIInChI=1S/C11H21NO3/c1-3-4-5-6-7-8-9-10(2)11(13)15-12-14/h10H,3-9H2,1-2H3
InChIKeyYRPFPDBZWSHMCY-UHFFFAOYSA-N
MW215.29 g/mol
LogP3.60
Rot. Bonds9

About nitroso 2-methyldecanoate

nitroso 2-methyldecanoate (PubChem CID 174579613) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is nitroso 2-methyldecanoate.

Molecular Properties

Compound Namenitroso 2-methyldecanoate
PubChem CID174579613
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namenitroso 2-methyldecanoate
SMILESCCCCCCCCC(C)C(=O)ON=O
InChIInChI=1S/C11H21NO3/c1-3-4-5-6-7-8-9-10(2)11(13)15-12-14/h10H,3-9H2,1-2H3
InChIKeyYRPFPDBZWSHMCY-UHFFFAOYSA-N
XLogP3.60
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze nitroso 2-methyldecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

nitroso 2-octyltetradecanoate
CID 174324737
nitroso 2-hydroxydecanoate
CID 175298804
2-methyloctanoyl 2-methyloctaneperoxoate
CID 71367675
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305
methyl (2S)-2-methylnonanoate
CID 12525304
dodecyl 2-methyltetradecanoate
CID 88541423
hexyl 2-methyldodecanoate
CID 174392697
butyl 2-methyloctanoate
CID 54180722
octadecan-2-yl 2-methylnonadecanoate
CID 58960721
acetic acid;ethyl 2-methyldecanoate
CID 175237590
sodium;hydride;2-methyloctanamide
CID 174470127

Frequently Asked Questions

What is the IUPAC name of nitroso 2-methyldecanoate?
The IUPAC name of nitroso 2-methyldecanoate (CID 174579613) is nitroso 2-methyldecanoate.
What is the SMILES notation for nitroso 2-methyldecanoate?
The canonical SMILES for nitroso 2-methyldecanoate is CCCCCCCCC(C)C(=O)ON=O.
What is the InChIKey of nitroso 2-methyldecanoate?
The InChIKey is YRPFPDBZWSHMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-5-6-7-8-9-10(2)11(13)15-12-14/h10H,3-9H2,1-2H3.
What are the key properties of nitroso 2-methyldecanoate?
nitroso 2-methyldecanoate has a molecular weight of 215.29 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso 2-methyldecanoate is sourced from PubChem (CID 174579613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).