8-methyl-1-nitrosononane

C10H21NO — CID 163867680

IUPAC8-methyl-1-nitrosononane
SMILESCC(C)CCCCCCCN=O
InChIInChI=1S/C10H21NO/c1-10(2)8-6-4-3-5-7-9-11-12/h10H,3-9H2,1-2H3
InChIKeyPIBOTQLBMAQIIP-UHFFFAOYSA-N
MW171.28 g/mol
LogP3.75
Rot. Bonds8

About 8-methyl-1-nitrosononane

8-methyl-1-nitrosononane (PubChem CID 163867680) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 8-methyl-1-nitrosononane.

Molecular Properties

Compound Name8-methyl-1-nitrosononane
PubChem CID163867680
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name8-methyl-1-nitrosononane
SMILESCC(C)CCCCCCCN=O
InChIInChI=1S/C10H21NO/c1-10(2)8-6-4-3-5-7-9-11-12/h10H,3-9H2,1-2H3
InChIKeyPIBOTQLBMAQIIP-UHFFFAOYSA-N
XLogP3.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.75
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

2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
1-isocyanato-23-methyltetracosane
CID 140840712
2-chloro-9-methyldecane
CID 174557182
2,9-dimethyldecanal
CID 21437669
N-methyl-7-nitrosoheptan-1-amine
CID 143959135
tris(2,7-dimethyloctane);ethane;methane
CID 159869544
4-ethyl-1-nitrosoundecane
CID 137474981
N,N-bis(1,1-dideuterio-7-methyloctyl)nitrous amide
CID 71751126
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415
2-methyltetratriacontane
CID 14275207

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-nitrosononane?
The IUPAC name of 8-methyl-1-nitrosononane (CID 163867680) is 8-methyl-1-nitrosononane.
What is the SMILES notation for 8-methyl-1-nitrosononane?
The canonical SMILES for 8-methyl-1-nitrosononane is CC(C)CCCCCCCN=O.
What is the InChIKey of 8-methyl-1-nitrosononane?
The InChIKey is PIBOTQLBMAQIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2)8-6-4-3-5-7-9-11-12/h10H,3-9H2,1-2H3.
What are the key properties of 8-methyl-1-nitrosononane?
8-methyl-1-nitrosononane has a molecular weight of 171.28 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-nitrosononane is sourced from PubChem (CID 163867680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).