6-(methoxymethoxy)-1-nitrocyclohexene

C8H13NO4 — CID 542393

IUPAC6-(methoxymethoxy)-1-nitrocyclohexene
SMILESCOCOC1CCCC=C1[N+](=O)[O-]
InChIInChI=1S/C8H13NO4/c1-12-6-13-8-5-3-2-4-7(8)9(10)11/h4,8H,2-3,5-6H2,1H3
InChIKeyFFEXASYRHDRBNC-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.32
Rot. Bonds4

About 6-(methoxymethoxy)-1-nitrocyclohexene

6-(methoxymethoxy)-1-nitrocyclohexene (PubChem CID 542393) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 6-(methoxymethoxy)-1-nitrocyclohexene.

Molecular Properties

Compound Name6-(methoxymethoxy)-1-nitrocyclohexene
PubChem CID542393
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name6-(methoxymethoxy)-1-nitrocyclohexene
SMILESCOCOC1CCCC=C1[N+](=O)[O-]
InChIInChI=1S/C8H13NO4/c1-12-6-13-8-5-3-2-4-7(8)9(10)11/h4,8H,2-3,5-6H2,1H3
InChIKeyFFEXASYRHDRBNC-UHFFFAOYSA-N
XLogP1.32
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)-1-nitrocyclohexene?
The IUPAC name of 6-(methoxymethoxy)-1-nitrocyclohexene (CID 542393) is 6-(methoxymethoxy)-1-nitrocyclohexene.
What is the SMILES notation for 6-(methoxymethoxy)-1-nitrocyclohexene?
The canonical SMILES for 6-(methoxymethoxy)-1-nitrocyclohexene is COCOC1CCCC=C1[N+](=O)[O-].
What is the InChIKey of 6-(methoxymethoxy)-1-nitrocyclohexene?
The InChIKey is FFEXASYRHDRBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-12-6-13-8-5-3-2-4-7(8)9(10)11/h4,8H,2-3,5-6H2,1H3.
What are the key properties of 6-(methoxymethoxy)-1-nitrocyclohexene?
6-(methoxymethoxy)-1-nitrocyclohexene has a molecular weight of 187.19 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethoxy)-1-nitrocyclohexene is sourced from PubChem (CID 542393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).