1-ethoxy-1-nitrosotetradecane

C16H33NO2 — CID 174268617

IUPAC1-ethoxy-1-nitrosotetradecane
SMILESCCCCCCCCCCCCCC(N=O)OCC
InChIInChI=1S/C16H33NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17-18)19-4-2/h16H,3-15H2,1-2H3
InChIKeyJONKFRBHZHVPQP-UHFFFAOYSA-N
MW271.44 g/mol
LogP5.82
Rot. Bonds15

About 1-ethoxy-1-nitrosotetradecane

1-ethoxy-1-nitrosotetradecane (PubChem CID 174268617) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-ethoxy-1-nitrosotetradecane.

Molecular Properties

Compound Name1-ethoxy-1-nitrosotetradecane
PubChem CID174268617
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-ethoxy-1-nitrosotetradecane
SMILESCCCCCCCCCCCCCC(N=O)OCC
InChIInChI=1S/C16H33NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17-18)19-4-2/h16H,3-15H2,1-2H3
InChIKeyJONKFRBHZHVPQP-UHFFFAOYSA-N
XLogP5.82
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

19-nitrosoheptatriacontane
CID 88669606
9-ethoxyoctadecane
CID 87148376
ethyl 2-nitrosoheptanoate
CID 54348617
1-ethoxy-1-isocyanatopentane
CID 155127899
(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
2-ethoxytridecane
CID 54143367
1-cyclopropyl-1-ethoxynonan-2-amine
CID 116723047
2-ethoxyoctanamide
CID 174492663

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-nitrosotetradecane?
The IUPAC name of 1-ethoxy-1-nitrosotetradecane (CID 174268617) is 1-ethoxy-1-nitrosotetradecane.
What is the SMILES notation for 1-ethoxy-1-nitrosotetradecane?
The canonical SMILES for 1-ethoxy-1-nitrosotetradecane is CCCCCCCCCCCCCC(N=O)OCC.
What is the InChIKey of 1-ethoxy-1-nitrosotetradecane?
The InChIKey is JONKFRBHZHVPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17-18)19-4-2/h16H,3-15H2,1-2H3.
What are the key properties of 1-ethoxy-1-nitrosotetradecane?
1-ethoxy-1-nitrosotetradecane has a molecular weight of 271.44 g/mol, XLogP of 5.82, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-nitrosotetradecane is sourced from PubChem (CID 174268617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).