2-methoxy-3-nitrooxane

C6H11NO4 — CID 175828059

IUPAC2-methoxy-3-nitrooxane
SMILESCOC1OCCCC1[N+](=O)[O-]
InChIInChI=1S/C6H11NO4/c1-10-6-5(7(8)9)3-2-4-11-6/h5-6H,2-4H2,1H3
InChIKeyCDYCRFFDDQAILR-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.41
Rot. Bonds2

About 2-methoxy-3-nitrooxane

2-methoxy-3-nitrooxane (PubChem CID 175828059) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-methoxy-3-nitrooxane.

Molecular Properties

Compound Name2-methoxy-3-nitrooxane
PubChem CID175828059
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-methoxy-3-nitrooxane
SMILESCOC1OCCCC1[N+](=O)[O-]
InChIInChI=1S/C6H11NO4/c1-10-6-5(7(8)9)3-2-4-11-6/h5-6H,2-4H2,1H3
InChIKeyCDYCRFFDDQAILR-UHFFFAOYSA-N
XLogP0.41
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-(2-methoxyoxan-3-yl)oxane
CID 575050
1,2-dinitrocyclohexane
CID 19756713
2-chloro-1,3-dinitrocyclohexane
CID 154109386
3-iodo-2-methoxyoxepane
CID 10923127
2-methoxyoxan-3-ol;propan-1-ol
CID 145057675
4-[(2S,3R)-2-methoxyoxan-3-yl]-2-methylbutan-2-ol
CID 10420393
(3R)-2-methoxyoxolan-3-amine
CID 121422095
trans-(1R,2R)-2-nitrocyclohexan-1-ol
CID 12858497
methyl (2S)-2-hydroxy-2-[(1R,2S)-2-nitrocyclohexyl]acetate
CID 11672968
(2-nitrooxyoxolan-3-yl) nitrate
CID 87368612
(2S,3S)-2-methoxyoxolane-3-carboxylic acid
CID 97303923
(2S)-2-[(E)-2-nitroethenyl]oxolane
CID 124585776

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-nitrooxane?
The IUPAC name of 2-methoxy-3-nitrooxane (CID 175828059) is 2-methoxy-3-nitrooxane.
What is the SMILES notation for 2-methoxy-3-nitrooxane?
The canonical SMILES for 2-methoxy-3-nitrooxane is COC1OCCCC1[N+](=O)[O-].
What is the InChIKey of 2-methoxy-3-nitrooxane?
The InChIKey is CDYCRFFDDQAILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-10-6-5(7(8)9)3-2-4-11-6/h5-6H,2-4H2,1H3.
What are the key properties of 2-methoxy-3-nitrooxane?
2-methoxy-3-nitrooxane has a molecular weight of 161.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-nitrooxane is sourced from PubChem (CID 175828059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).