5-nitrooxypentyl formate

C6H11NO5 — CID 142971744

IUPAC5-nitrooxypentyl formate
SMILESO=COCCCCCO[N+](=O)[O-]
InChIInChI=1S/C6H11NO5/c8-6-11-4-2-1-3-5-12-7(9)10/h6H,1-5H2
InChIKeyGPMUCDOBKWPFBO-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.54
Rot. Bonds8

About 5-nitrooxypentyl formate

5-nitrooxypentyl formate (PubChem CID 142971744) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-nitrooxypentyl formate.

Molecular Properties

Compound Name5-nitrooxypentyl formate
PubChem CID142971744
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name5-nitrooxypentyl formate
SMILESO=COCCCCCO[N+](=O)[O-]
InChIInChI=1S/C6H11NO5/c8-6-11-4-2-1-3-5-12-7(9)10/h6H,1-5H2
InChIKeyGPMUCDOBKWPFBO-UHFFFAOYSA-N
XLogP0.54
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 5-nitrooxypentyl formate?
The IUPAC name of 5-nitrooxypentyl formate (CID 142971744) is 5-nitrooxypentyl formate.
What is the SMILES notation for 5-nitrooxypentyl formate?
The canonical SMILES for 5-nitrooxypentyl formate is O=COCCCCCO[N+](=O)[O-].
What is the InChIKey of 5-nitrooxypentyl formate?
The InChIKey is GPMUCDOBKWPFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5/c8-6-11-4-2-1-3-5-12-7(9)10/h6H,1-5H2.
What are the key properties of 5-nitrooxypentyl formate?
5-nitrooxypentyl formate has a molecular weight of 177.16 g/mol, XLogP of 0.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrooxypentyl formate is sourced from PubChem (CID 142971744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).