butyl nitrite;propyl nitrite

C7H16N2O4 — CID 88771471

IUPACbutyl nitrite;propyl nitrite
SMILESCCCCON=O.CCCON=O
InChIInChI=1S/C4H9NO2.C3H7NO2/c1-2-3-4-7-5-6;1-2-3-6-4-5/h2-4H2,1H3;2-3H2,1H3
InChIKeyXYCNJCMIXWFQAW-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.58
Rot. Bonds7

About butyl nitrite;propyl nitrite

butyl nitrite;propyl nitrite (PubChem CID 88771471) has the molecular formula C7H16N2O4 and a molecular weight of 192.21 g/mol. Its IUPAC name is butyl nitrite;propyl nitrite.

Molecular Properties

Compound Namebutyl nitrite;propyl nitrite
PubChem CID88771471
Molecular FormulaC7H16N2O4
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Namebutyl nitrite;propyl nitrite
SMILESCCCCON=O.CCCON=O
InChIInChI=1S/C4H9NO2.C3H7NO2/c1-2-3-4-7-5-6;1-2-3-6-4-5/h2-4H2,1H3;2-3H2,1H3
InChIKeyXYCNJCMIXWFQAW-UHFFFAOYSA-N
XLogP2.58
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.58
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

5-nitrosooxypentyl nitrite
CID 3539614
1-deuteriobutyl nitrite
CID 154638986
4-chlorobutyl nitrite
CID 55302210
pentane;stannane
CID 173279416
2-cyanoprop-2-enoic acid;octyl nitrite
CID 174488105
6-chlorohexyl nitrite
CID 157010723
2-hydroxybenzoic acid;octyl nitrite
CID 160599086
cobalt;2-N,3-N-dibutoxybutane-2,3-diimine
CID 174757879
butane;pentane;1-propoxybutane;1-(2-propoxyethoxy)butane
CID 167680049
(2E)-2-butoxyiminoacetic acid
CID 88725483
2-(dimethylamino)ethyl 2-methylprop-2-enoate;octyl nitrite
CID 174810218
butyl 2-methyl-3-nitrosooxyundec-2-enoate
CID 174801157

Frequently Asked Questions

What is the IUPAC name of butyl nitrite;propyl nitrite?
The IUPAC name of butyl nitrite;propyl nitrite (CID 88771471) is butyl nitrite;propyl nitrite.
What is the SMILES notation for butyl nitrite;propyl nitrite?
The canonical SMILES for butyl nitrite;propyl nitrite is CCCCON=O.CCCON=O.
What is the InChIKey of butyl nitrite;propyl nitrite?
The InChIKey is XYCNJCMIXWFQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.C3H7NO2/c1-2-3-4-7-5-6;1-2-3-6-4-5/h2-4H2,1H3;2-3H2,1H3.
What are the key properties of butyl nitrite;propyl nitrite?
butyl nitrite;propyl nitrite has a molecular weight of 192.21 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl nitrite;propyl nitrite is sourced from PubChem (CID 88771471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).