2-dimethylphosphoryloxypropane

C5H13O2P — CID 12572720

IUPAC2-dimethylphosphoryloxypropane
SMILESCC(C)OP(C)(C)=O
InChIInChI=1S/C5H13O2P/c1-5(2)7-8(3,4)6/h5H,1-4H3
InChIKeyZLPICQDCFDTOPK-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.95
Rot. Bonds2

About 2-dimethylphosphoryloxypropane

2-dimethylphosphoryloxypropane (PubChem CID 12572720) has the molecular formula C5H13O2P and a molecular weight of 136.13 g/mol. Its IUPAC name is 2-dimethylphosphoryloxypropane.

Molecular Properties

Compound Name2-dimethylphosphoryloxypropane
PubChem CID12572720
Molecular FormulaC5H13O2P
Molecular Weight136.13 g/mol
Exact Mass136.07
IUPAC Name2-dimethylphosphoryloxypropane
SMILESCC(C)OP(C)(C)=O
InChIInChI=1S/C5H13O2P/c1-5(2)7-8(3,4)6/h5H,1-4H3
InChIKeyZLPICQDCFDTOPK-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.95
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-dimethylphosphoryloxypropane?
The IUPAC name of 2-dimethylphosphoryloxypropane (CID 12572720) is 2-dimethylphosphoryloxypropane.
What is the SMILES notation for 2-dimethylphosphoryloxypropane?
The canonical SMILES for 2-dimethylphosphoryloxypropane is CC(C)OP(C)(C)=O.
What is the InChIKey of 2-dimethylphosphoryloxypropane?
The InChIKey is ZLPICQDCFDTOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2P/c1-5(2)7-8(3,4)6/h5H,1-4H3.
What are the key properties of 2-dimethylphosphoryloxypropane?
2-dimethylphosphoryloxypropane has a molecular weight of 136.13 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylphosphoryloxypropane is sourced from PubChem (CID 12572720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).