9-(nitrosomethyl)icosane

C21H43NO — CID 122613192

IUPAC9-(nitrosomethyl)icosane
SMILESCCCCCCCCCCCC(CCCCCCCC)CN=O
InChIInChI=1S/C21H43NO/c1-3-5-7-9-11-12-13-15-17-19-21(20-22-23)18-16-14-10-8-6-4-2/h21H,3-20H2,1-2H3
InChIKeyWUAHABRMVICIHM-UHFFFAOYSA-N
MW325.58 g/mol
LogP8.04
Rot. Bonds19

About 9-(nitrosomethyl)icosane

9-(nitrosomethyl)icosane (PubChem CID 122613192) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 9-(nitrosomethyl)icosane.

Molecular Properties

Compound Name9-(nitrosomethyl)icosane
PubChem CID122613192
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name9-(nitrosomethyl)icosane
SMILESCCCCCCCCCCCC(CCCCCCCC)CN=O
InChIInChI=1S/C21H43NO/c1-3-5-7-9-11-12-13-15-17-19-21(20-22-23)18-16-14-10-8-6-4-2/h21H,3-20H2,1-2H3
InChIKeyWUAHABRMVICIHM-UHFFFAOYSA-N
XLogP8.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-(nitrosomethyl)pentadecane
CID 54309093
2-pentyloctane-1-thiol
CID 170312154
11-pentylheptacosane
CID 91575569
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
17-pentylhexatriacontane
CID 91327833
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731

Frequently Asked Questions

What is the IUPAC name of 9-(nitrosomethyl)icosane?
The IUPAC name of 9-(nitrosomethyl)icosane (CID 122613192) is 9-(nitrosomethyl)icosane.
What is the SMILES notation for 9-(nitrosomethyl)icosane?
The canonical SMILES for 9-(nitrosomethyl)icosane is CCCCCCCCCCCC(CCCCCCCC)CN=O.
What is the InChIKey of 9-(nitrosomethyl)icosane?
The InChIKey is WUAHABRMVICIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO/c1-3-5-7-9-11-12-13-15-17-19-21(20-22-23)18-16-14-10-8-6-4-2/h21H,3-20H2,1-2H3.
What are the key properties of 9-(nitrosomethyl)icosane?
9-(nitrosomethyl)icosane has a molecular weight of 325.58 g/mol, XLogP of 8.04, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(nitrosomethyl)icosane is sourced from PubChem (CID 122613192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).