5-nitrosooxypentyl nitrite

C5H10N2O4 — CID 3539614

IUPAC5-nitrosooxypentyl nitrite
SMILESO=NOCCCCCON=O
InChIInChI=1S/C5H10N2O4/c8-6-10-4-2-1-3-5-11-7-9/h1-5H2
InChIKeyNBAXKCKJVQKDPM-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.55
Rot. Bonds8

About 5-nitrosooxypentyl nitrite

5-nitrosooxypentyl nitrite (PubChem CID 3539614) has the molecular formula C5H10N2O4 and a molecular weight of 162.14 g/mol. Its IUPAC name is 5-nitrosooxypentyl nitrite.

Molecular Properties

Compound Name5-nitrosooxypentyl nitrite
PubChem CID3539614
Molecular FormulaC5H10N2O4
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC Name5-nitrosooxypentyl nitrite
SMILESO=NOCCCCCON=O
InChIInChI=1S/C5H10N2O4/c8-6-10-4-2-1-3-5-11-7-9/h1-5H2
InChIKeyNBAXKCKJVQKDPM-UHFFFAOYSA-N
XLogP1.55
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chlorohexyl nitrite
CID 157010723
4-chlorobutyl nitrite
CID 55302210
16-(trioxidanylperoxyperoxy)hexadecyl nitrite
CID 88540912
butyl nitrite;propyl nitrite
CID 88771471
(2-methyl-1,9-dinitrosooxynonan-4-yl) nitrite
CID 57104673
2-cyanoprop-2-enoic acid;octyl nitrite
CID 174488105
2-hydroxybenzoic acid;octyl nitrite
CID 160599086
2-(dimethylamino)ethyl 2-methylprop-2-enoate;octyl nitrite
CID 174810218
2-cyclohexylethyl nitrite
CID 125485427
1-deuteriobutyl nitrite
CID 154638986
hexadecoxyiminosilane
CID 173221095
6-[(Z)-1-ethoxyethylideneamino]oxyhexanoic acid
CID 118175045

Frequently Asked Questions

What is the IUPAC name of 5-nitrosooxypentyl nitrite?
The IUPAC name of 5-nitrosooxypentyl nitrite (CID 3539614) is 5-nitrosooxypentyl nitrite.
What is the SMILES notation for 5-nitrosooxypentyl nitrite?
The canonical SMILES for 5-nitrosooxypentyl nitrite is O=NOCCCCCON=O.
What is the InChIKey of 5-nitrosooxypentyl nitrite?
The InChIKey is NBAXKCKJVQKDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c8-6-10-4-2-1-3-5-11-7-9/h1-5H2.
What are the key properties of 5-nitrosooxypentyl nitrite?
5-nitrosooxypentyl nitrite has a molecular weight of 162.14 g/mol, XLogP of 1.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrosooxypentyl nitrite is sourced from PubChem (CID 3539614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).