1,1-Dimethoxy-2-(2-nitrosoethoxy)ethane

C6H13NO4 — CID 149601846

IUPAC1,1-dimethoxy-2-(2-nitrosoethoxy)ethane
SMILESCOC(COCCN=O)OC
InChIInChI=1S/C6H13NO4/c1-9-6(10-2)5-11-4-3-7-8/h6H,3-5H2,1-2H3
InChIKeyZZXGHKKWDXANGP-UHFFFAOYSA-N
MW163.17 g/mol
LogP-0.70
Rot. Bonds6

About 1,1-Dimethoxy-2-(2-nitrosoethoxy)ethane

1,1-Dimethoxy-2-(2-nitrosoethoxy)ethane (PubChem CID 149601846) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 1,1-dimethoxy-2-(2-nitrosoethoxy)ethane.

Molecular Properties

Compound Name1,1-Dimethoxy-2-(2-nitrosoethoxy)ethane
PubChem CID149601846
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1,1-dimethoxy-2-(2-nitrosoethoxy)ethane
SMILESCOC(COCCN=O)OC
InChIInChI=1S/C6H13NO4/c1-9-6(10-2)5-11-4-3-7-8/h6H,3-5H2,1-2H3
InChIKeyZZXGHKKWDXANGP-UHFFFAOYSA-N
XLogP-0.70
TPSA57.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity94

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1,1-Dimethoxy-2-nitrosoethane
CID 91024236
1-[2-(2-Methoxyethoxy)ethoxy]-2-nitrosoethane
CID 147944227
2-[1-(2-Nitrosoethoxy)ethoxy]ethanol
CID 169890776

Frequently Asked Questions

What is the IUPAC name of 1,1-Dimethoxy-2-(2-nitrosoethoxy)ethane?
The IUPAC name of 1,1-Dimethoxy-2-(2-nitrosoethoxy)ethane (CID 149601846) is 1,1-dimethoxy-2-(2-nitrosoethoxy)ethane.
What is the SMILES notation for 1,1-Dimethoxy-2-(2-nitrosoethoxy)ethane?
The canonical SMILES for 1,1-Dimethoxy-2-(2-nitrosoethoxy)ethane is COC(COCCN=O)OC.
What is the InChIKey of 1,1-Dimethoxy-2-(2-nitrosoethoxy)ethane?
The InChIKey is ZZXGHKKWDXANGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-9-6(10-2)5-11-4-3-7-8/h6H,3-5H2,1-2H3.
What are the key properties of 1,1-Dimethoxy-2-(2-nitrosoethoxy)ethane?
1,1-Dimethoxy-2-(2-nitrosoethoxy)ethane has a molecular weight of 163.17 g/mol, XLogP of -0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-Dimethoxy-2-(2-nitrosoethoxy)ethane is sourced from PubChem (CID 149601846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).