1-phosphorosooxypropane

C3H7O2P — CID 19931623

IUPAC1-phosphorosooxypropane
SMILESCCCOP=O
InChIInChI=1S/C3H7O2P/c1-2-3-5-6-4/h2-3H2,1H3
InChIKeyPIILKMRQAQJXKL-UHFFFAOYSA-N
MW106.06 g/mol
LogP1.62
Rot. Bonds3

About 1-phosphorosooxypropane

1-phosphorosooxypropane (PubChem CID 19931623) has the molecular formula C3H7O2P and a molecular weight of 106.06 g/mol. Its IUPAC name is 1-phosphorosooxypropane.

Molecular Properties

Compound Name1-phosphorosooxypropane
PubChem CID19931623
Molecular FormulaC3H7O2P
Molecular Weight106.06 g/mol
Exact Mass106.02
IUPAC Name1-phosphorosooxypropane
SMILESCCCOP=O
InChIInChI=1S/C3H7O2P/c1-2-3-5-6-4/h2-3H2,1H3
InChIKeyPIILKMRQAQJXKL-UHFFFAOYSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.06
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phosphorosooxypropane?
The IUPAC name of 1-phosphorosooxypropane (CID 19931623) is 1-phosphorosooxypropane.
What is the SMILES notation for 1-phosphorosooxypropane?
The canonical SMILES for 1-phosphorosooxypropane is CCCOP=O.
What is the InChIKey of 1-phosphorosooxypropane?
The InChIKey is PIILKMRQAQJXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2P/c1-2-3-5-6-4/h2-3H2,1H3.
What are the key properties of 1-phosphorosooxypropane?
1-phosphorosooxypropane has a molecular weight of 106.06 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphorosooxypropane is sourced from PubChem (CID 19931623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).