7-(nitrosomethyl)pentadecane

C16H33NO — CID 54309093

IUPAC7-(nitrosomethyl)pentadecane
SMILESCCCCCCCCC(CCCCCC)CN=O
InChIInChI=1S/C16H33NO/c1-3-5-7-9-10-12-14-16(15-17-18)13-11-8-6-4-2/h16H,3-15H2,1-2H3
InChIKeySJQACFCFXQYQDW-UHFFFAOYSA-N
MW255.45 g/mol
LogP6.09
Rot. Bonds14

About 7-(nitrosomethyl)pentadecane

7-(nitrosomethyl)pentadecane (PubChem CID 54309093) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 7-(nitrosomethyl)pentadecane.

Molecular Properties

Compound Name7-(nitrosomethyl)pentadecane
PubChem CID54309093
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name7-(nitrosomethyl)pentadecane
SMILESCCCCCCCCC(CCCCCC)CN=O
InChIInChI=1S/C16H33NO/c1-3-5-7-9-10-12-14-16(15-17-18)13-11-8-6-4-2/h16H,3-15H2,1-2H3
InChIKeySJQACFCFXQYQDW-UHFFFAOYSA-N
XLogP6.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.45
LogP ≤ 56.09
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

9-(nitrosomethyl)icosane
CID 122613192
2-pentyloctane-1-thiol
CID 170312154
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478

Frequently Asked Questions

What is the IUPAC name of 7-(nitrosomethyl)pentadecane?
The IUPAC name of 7-(nitrosomethyl)pentadecane (CID 54309093) is 7-(nitrosomethyl)pentadecane.
What is the SMILES notation for 7-(nitrosomethyl)pentadecane?
The canonical SMILES for 7-(nitrosomethyl)pentadecane is CCCCCCCCC(CCCCCC)CN=O.
What is the InChIKey of 7-(nitrosomethyl)pentadecane?
The InChIKey is SJQACFCFXQYQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-5-7-9-10-12-14-16(15-17-18)13-11-8-6-4-2/h16H,3-15H2,1-2H3.
What are the key properties of 7-(nitrosomethyl)pentadecane?
7-(nitrosomethyl)pentadecane has a molecular weight of 255.45 g/mol, XLogP of 6.09, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(nitrosomethyl)pentadecane is sourced from PubChem (CID 54309093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).