2-(2-Nitrosoethoxymethoxy)butane

C7H15NO3 — CID 132151792

IUPAC2-(2-nitrosoethoxymethoxy)butane
SMILESCCC(C)OCOCCN=O
InChIInChI=1S/C7H15NO3/c1-3-7(2)11-6-10-5-4-8-9/h7H,3-6H2,1-2H3
InChIKeyCKHAMPPGBGNXLO-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.70
Rot. Bonds6

About 2-(2-Nitrosoethoxymethoxy)butane

2-(2-Nitrosoethoxymethoxy)butane (PubChem CID 132151792) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(2-nitrosoethoxymethoxy)butane.

Molecular Properties

Compound Name2-(2-Nitrosoethoxymethoxy)butane
PubChem CID132151792
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-(2-nitrosoethoxymethoxy)butane
SMILESCCC(C)OCOCCN=O
InChIInChI=1S/C7H15NO3/c1-3-7(2)11-6-10-5-4-8-9/h7H,3-6H2,1-2H3
InChIKeyCKHAMPPGBGNXLO-UHFFFAOYSA-N
XLogP0.70
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity97

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Acetaldehyde ethyl 1-methyl-2-nitroethyl acetal
CID 85918121
(2R,4S)-4-methyl-2-(nitrosomethyl)-1,3-dioxolane
CID 89043720
1,1-Dimethoxy-2-nitrosoethane
CID 91024236
2-(Methoxymethoxy)-1,3-dinitrosopropane
CID 121275584
1-(Methoxymethoxy)-2-nitrosoethane
CID 154001193
2-(Methoxymethoxy)-1-nitropropane
CID 163900649
2-Methoxy-2-(2-nitrosoethoxy)propane
CID 164137639
(2R)-2-methoxy-1-nitrosopropane
CID 177147129

Frequently Asked Questions

What is the IUPAC name of 2-(2-Nitrosoethoxymethoxy)butane?
The IUPAC name of 2-(2-Nitrosoethoxymethoxy)butane (CID 132151792) is 2-(2-nitrosoethoxymethoxy)butane.
What is the SMILES notation for 2-(2-Nitrosoethoxymethoxy)butane?
The canonical SMILES for 2-(2-Nitrosoethoxymethoxy)butane is CCC(C)OCOCCN=O.
What is the InChIKey of 2-(2-Nitrosoethoxymethoxy)butane?
The InChIKey is CKHAMPPGBGNXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-7(2)11-6-10-5-4-8-9/h7H,3-6H2,1-2H3.
What are the key properties of 2-(2-Nitrosoethoxymethoxy)butane?
2-(2-Nitrosoethoxymethoxy)butane has a molecular weight of 161.20 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-Nitrosoethoxymethoxy)butane is sourced from PubChem (CID 132151792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).