4-ethyl-1-nitrosoundecane

C13H27NO — CID 137474981

IUPAC4-ethyl-1-nitrosoundecane
SMILESCCCCCCCC(CC)CCCN=O
InChIInChI=1S/C13H27NO/c1-3-5-6-7-8-10-13(4-2)11-9-12-14-15/h13H,3-12H2,1-2H3
InChIKeyDRQBUBLIDSOWGN-UHFFFAOYSA-N
MW213.36 g/mol
LogP4.92
Rot. Bonds11

About 4-ethyl-1-nitrosoundecane

4-ethyl-1-nitrosoundecane (PubChem CID 137474981) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-ethyl-1-nitrosoundecane.

Molecular Properties

Compound Name4-ethyl-1-nitrosoundecane
PubChem CID137474981
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-ethyl-1-nitrosoundecane
SMILESCCCCCCCC(CC)CCCN=O
InChIInChI=1S/C13H27NO/c1-3-5-6-7-8-10-13(4-2)11-9-12-14-15/h13H,3-12H2,1-2H3
InChIKeyDRQBUBLIDSOWGN-UHFFFAOYSA-N
XLogP4.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 54.92
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

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CID 91805956
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CID 23358557
7-ethyltetracosane
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7-ethyltetradecane
CID 529902
7-ethyltridecane;methane
CID 158982306
4-ethylhexadecane
CID 528433
4-ethylnonadecane
CID 22223766
3-ethylpentacosane
CID 22224239
3-ethylicosane
CID 528487
7-(nitrosomethyl)pentadecane
CID 54309093
9-(nitrosomethyl)icosane
CID 122613192
3,6-diethylundecane
CID 22051817

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-nitrosoundecane?
The IUPAC name of 4-ethyl-1-nitrosoundecane (CID 137474981) is 4-ethyl-1-nitrosoundecane.
What is the SMILES notation for 4-ethyl-1-nitrosoundecane?
The canonical SMILES for 4-ethyl-1-nitrosoundecane is CCCCCCCC(CC)CCCN=O.
What is the InChIKey of 4-ethyl-1-nitrosoundecane?
The InChIKey is DRQBUBLIDSOWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-6-7-8-10-13(4-2)11-9-12-14-15/h13H,3-12H2,1-2H3.
What are the key properties of 4-ethyl-1-nitrosoundecane?
4-ethyl-1-nitrosoundecane has a molecular weight of 213.36 g/mol, XLogP of 4.92, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-nitrosoundecane is sourced from PubChem (CID 137474981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).