2-methyl-1-phosphorosooxypropane

C4H9O2P — CID 14904535

IUPAC2-methyl-1-phosphorosooxypropane
SMILESCC(C)COP=O
InChIInChI=1S/C4H9O2P/c1-4(2)3-6-7-5/h4H,3H2,1-2H3
InChIKeyNSTRGKQILCUDNK-UHFFFAOYSA-N
MW120.09 g/mol
LogP1.87
Rot. Bonds3

About 2-methyl-1-phosphorosooxypropane

2-methyl-1-phosphorosooxypropane (PubChem CID 14904535) has the molecular formula C4H9O2P and a molecular weight of 120.09 g/mol. Its IUPAC name is 2-methyl-1-phosphorosooxypropane.

Molecular Properties

Compound Name2-methyl-1-phosphorosooxypropane
PubChem CID14904535
Molecular FormulaC4H9O2P
Molecular Weight120.09 g/mol
Exact Mass120.03
IUPAC Name2-methyl-1-phosphorosooxypropane
SMILESCC(C)COP=O
InChIInChI=1S/C4H9O2P/c1-4(2)3-6-7-5/h4H,3H2,1-2H3
InChIKeyNSTRGKQILCUDNK-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.09
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phosphorosooxypropane?
The IUPAC name of 2-methyl-1-phosphorosooxypropane (CID 14904535) is 2-methyl-1-phosphorosooxypropane.
What is the SMILES notation for 2-methyl-1-phosphorosooxypropane?
The canonical SMILES for 2-methyl-1-phosphorosooxypropane is CC(C)COP=O.
What is the InChIKey of 2-methyl-1-phosphorosooxypropane?
The InChIKey is NSTRGKQILCUDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2P/c1-4(2)3-6-7-5/h4H,3H2,1-2H3.
What are the key properties of 2-methyl-1-phosphorosooxypropane?
2-methyl-1-phosphorosooxypropane has a molecular weight of 120.09 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phosphorosooxypropane is sourced from PubChem (CID 14904535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).