9-phenylnonan-2-yl nitrite

C15H23NO2 — CID 174666928

IUPAC9-phenylnonan-2-yl nitrite
SMILESCC(CCCCCCCc1ccccc1)ON=O
InChIInChI=1S/C15H23NO2/c1-14(18-16-17)10-6-3-2-4-7-11-15-12-8-5-9-13-15/h5,8-9,12-14H,2-4,6-7,10-11H2,1H3
InChIKeyUMFQEUNINMLSQF-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.66
Rot. Bonds10

About 9-phenylnonan-2-yl nitrite

9-phenylnonan-2-yl nitrite (PubChem CID 174666928) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 9-phenylnonan-2-yl nitrite.

Molecular Properties

Compound Name9-phenylnonan-2-yl nitrite
PubChem CID174666928
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name9-phenylnonan-2-yl nitrite
SMILESCC(CCCCCCCc1ccccc1)ON=O
InChIInChI=1S/C15H23NO2/c1-14(18-16-17)10-6-3-2-4-7-11-15-12-8-5-9-13-15/h5,8-9,12-14H,2-4,6-7,10-11H2,1H3
InChIKeyUMFQEUNINMLSQF-UHFFFAOYSA-N
XLogP4.66
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

8-phenyloctan-2-yl nitrite
CID 161142900
6-phenylhexan-2-yl hydrogen carbonate
CID 67179658
5-methylheptylbenzene
CID 564254
[(2R)-5-phenylpentan-2-yl] methanesulfonate
CID 22827842
7-phenyl-2-propan-2-ylheptanoic acid
CID 15660880
6-phenylhexan-2-ylbenzene
CID 19704587
2-(8-phenyloctyl)propanedioic acid
CID 20544236
2-butan-2-yloxycarbonyl-7-phenylheptanoic acid
CID 70548779
(2S)-6-phenylhexane-2-sulfonate
CID 86738785
2-nitroso-6-phenylhexanoic acid
CID 57068529
4-(7-phenylheptan-2-yl)pyridine
CID 14883828
15-phenylpentadecane-1,1-diol
CID 139927269

Frequently Asked Questions

What is the IUPAC name of 9-phenylnonan-2-yl nitrite?
The IUPAC name of 9-phenylnonan-2-yl nitrite (CID 174666928) is 9-phenylnonan-2-yl nitrite.
What is the SMILES notation for 9-phenylnonan-2-yl nitrite?
The canonical SMILES for 9-phenylnonan-2-yl nitrite is CC(CCCCCCCc1ccccc1)ON=O.
What is the InChIKey of 9-phenylnonan-2-yl nitrite?
The InChIKey is UMFQEUNINMLSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-14(18-16-17)10-6-3-2-4-7-11-15-12-8-5-9-13-15/h5,8-9,12-14H,2-4,6-7,10-11H2,1H3.
What are the key properties of 9-phenylnonan-2-yl nitrite?
9-phenylnonan-2-yl nitrite has a molecular weight of 249.35 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenylnonan-2-yl nitrite is sourced from PubChem (CID 174666928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).