4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol

C6H12NO3P — CID 89132481

IUPAC4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol
SMILESCC(P)(N=O)C1COC(O)C1
InChIInChI=1S/C6H12NO3P/c1-6(11,7-9)4-2-5(8)10-3-4/h4-5,8H,2-3,11H2,1H3
InChIKeyZSTHPHQKAUZDKT-UHFFFAOYSA-N
MW177.14 g/mol
LogP0.70
Rot. Bonds2

About 4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol

4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol (PubChem CID 89132481) has the molecular formula C6H12NO3P and a molecular weight of 177.14 g/mol. Its IUPAC name is 4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol.

Molecular Properties

Compound Name4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol
PubChem CID89132481
Molecular FormulaC6H12NO3P
Molecular Weight177.14 g/mol
Exact Mass177.06
IUPAC Name4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol
SMILESCC(P)(N=O)C1COC(O)C1
InChIInChI=1S/C6H12NO3P/c1-6(11,7-9)4-2-5(8)10-3-4/h4-5,8H,2-3,11H2,1H3
InChIKeyZSTHPHQKAUZDKT-UHFFFAOYSA-N
XLogP0.70
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol?
The IUPAC name of 4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol (CID 89132481) is 4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol.
What is the SMILES notation for 4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol?
The canonical SMILES for 4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol is CC(P)(N=O)C1COC(O)C1.
What is the InChIKey of 4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol?
The InChIKey is ZSTHPHQKAUZDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO3P/c1-6(11,7-9)4-2-5(8)10-3-4/h4-5,8H,2-3,11H2,1H3.
What are the key properties of 4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol?
4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol has a molecular weight of 177.14 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-nitroso-1-phosphanylethyl)oxolan-2-ol is sourced from PubChem (CID 89132481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).