6,6-dimethoxy-1-nitrosocyclohexene

C8H13NO3 — CID 152743909

IUPAC6,6-dimethoxy-1-nitrosocyclohexene
SMILESCOC1(OC)CCCC=C1N=O
InChIInChI=1S/C8H13NO3/c1-11-8(12-2)6-4-3-5-7(8)9-10/h5H,3-4,6H2,1-2H3
InChIKeyFOOYMYWVTUGKAL-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.81
Rot. Bonds3

About 6,6-dimethoxy-1-nitrosocyclohexene

6,6-dimethoxy-1-nitrosocyclohexene (PubChem CID 152743909) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 6,6-dimethoxy-1-nitrosocyclohexene.

Molecular Properties

Compound Name6,6-dimethoxy-1-nitrosocyclohexene
PubChem CID152743909
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name6,6-dimethoxy-1-nitrosocyclohexene
SMILESCOC1(OC)CCCC=C1N=O
InChIInChI=1S/C8H13NO3/c1-11-8(12-2)6-4-3-5-7(8)9-10/h5H,3-4,6H2,1-2H3
InChIKeyFOOYMYWVTUGKAL-UHFFFAOYSA-N
XLogP1.81
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethoxy-1-nitrosocyclohexene?
The IUPAC name of 6,6-dimethoxy-1-nitrosocyclohexene (CID 152743909) is 6,6-dimethoxy-1-nitrosocyclohexene.
What is the SMILES notation for 6,6-dimethoxy-1-nitrosocyclohexene?
The canonical SMILES for 6,6-dimethoxy-1-nitrosocyclohexene is COC1(OC)CCCC=C1N=O.
What is the InChIKey of 6,6-dimethoxy-1-nitrosocyclohexene?
The InChIKey is FOOYMYWVTUGKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-11-8(12-2)6-4-3-5-7(8)9-10/h5H,3-4,6H2,1-2H3.
What are the key properties of 6,6-dimethoxy-1-nitrosocyclohexene?
6,6-dimethoxy-1-nitrosocyclohexene has a molecular weight of 171.20 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethoxy-1-nitrosocyclohexene is sourced from PubChem (CID 152743909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).