(6R)-6-(methoxymethoxy)-1-nitrocyclohexene

C8H13NO4 — CID 14762171

IUPAC(6R)-6-(methoxymethoxy)-1-nitrocyclohexene
SMILESCOCO[C@@H]1CCCC=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/t8-/m1/s1
InChIKeyFFEXASYRHDRBNC-MRVPVSSYSA-N
MW187.19 g/mol
LogP1.32
Rot. Bonds4

About (6R)-6-(methoxymethoxy)-1-nitrocyclohexene

(6R)-6-(methoxymethoxy)-1-nitrocyclohexene (PubChem CID 14762171) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is (6R)-6-(methoxymethoxy)-1-nitrocyclohexene.

Molecular Properties

Compound Name(6R)-6-(methoxymethoxy)-1-nitrocyclohexene
PubChem CID14762171
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name(6R)-6-(methoxymethoxy)-1-nitrocyclohexene
SMILESCOCO[C@@H]1CCCC=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/t8-/m1/s1
InChIKeyFFEXASYRHDRBNC-MRVPVSSYSA-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 (6R)-6-(methoxymethoxy)-1-nitrocyclohexene?
The IUPAC name of (6R)-6-(methoxymethoxy)-1-nitrocyclohexene (CID 14762171) is (6R)-6-(methoxymethoxy)-1-nitrocyclohexene.
What is the SMILES notation for (6R)-6-(methoxymethoxy)-1-nitrocyclohexene?
The canonical SMILES for (6R)-6-(methoxymethoxy)-1-nitrocyclohexene is COCO[C@@H]1CCCC=C1[N+](=O)[O-].
What is the InChIKey of (6R)-6-(methoxymethoxy)-1-nitrocyclohexene?
The InChIKey is FFEXASYRHDRBNC-MRVPVSSYSA-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/t8-/m1/s1.
What are the key properties of (6R)-6-(methoxymethoxy)-1-nitrocyclohexene?
(6R)-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 (6R)-6-(methoxymethoxy)-1-nitrocyclohexene is sourced from PubChem (CID 14762171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).