nitrous acid;1-propoxypropane

C6H15NO3 — CID 174701141

IUPACnitrous acid;1-propoxypropane
SMILESCCCOCCC.O=NO
InChIInChI=1S/C6H14O.HNO2/c1-3-5-7-6-4-2;2-1-3/h3-6H2,1-2H3;(H,2,3)
InChIKeyUSYVNWUOICUJQX-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.97
Rot. Bonds4

About nitrous acid;1-propoxypropane

nitrous acid;1-propoxypropane (PubChem CID 174701141) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is nitrous acid;1-propoxypropane.

Molecular Properties

Compound Namenitrous acid;1-propoxypropane
PubChem CID174701141
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Namenitrous acid;1-propoxypropane
SMILESCCCOCCC.O=NO
InChIInChI=1S/C6H14O.HNO2/c1-3-5-7-6-4-2;2-1-3/h3-6H2,1-2H3;(H,2,3)
InChIKeyUSYVNWUOICUJQX-UHFFFAOYSA-N
XLogP1.97
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of nitrous acid;1-propoxypropane?
The IUPAC name of nitrous acid;1-propoxypropane (CID 174701141) is nitrous acid;1-propoxypropane.
What is the SMILES notation for nitrous acid;1-propoxypropane?
The canonical SMILES for nitrous acid;1-propoxypropane is CCCOCCC.O=NO.
What is the InChIKey of nitrous acid;1-propoxypropane?
The InChIKey is USYVNWUOICUJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.HNO2/c1-3-5-7-6-4-2;2-1-3/h3-6H2,1-2H3;(H,2,3).
What are the key properties of nitrous acid;1-propoxypropane?
nitrous acid;1-propoxypropane has a molecular weight of 149.19 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;1-propoxypropane is sourced from PubChem (CID 174701141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).