2-[methoxy(methyl)phosphoryl]oxypropane

C5H13O3P — CID 522334

IUPAC2-[methoxy(methyl)phosphoryl]oxypropane
SMILESCOP(C)(=O)OC(C)C
InChIInChI=1S/C5H13O3P/c1-5(2)8-9(4,6)7-3/h5H,1-4H3
InChIKeyGDBDOLDINYFAKS-UHFFFAOYSA-N
MW152.13 g/mol
LogP1.88
Rot. Bonds3

About 2-[methoxy(methyl)phosphoryl]oxypropane

2-[methoxy(methyl)phosphoryl]oxypropane (PubChem CID 522334) has the molecular formula C5H13O3P and a molecular weight of 152.13 g/mol. Its IUPAC name is 2-[methoxy(methyl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[methoxy(methyl)phosphoryl]oxypropane
PubChem CID522334
Molecular FormulaC5H13O3P
Molecular Weight152.13 g/mol
Exact Mass152.06
IUPAC Name2-[methoxy(methyl)phosphoryl]oxypropane
SMILESCOP(C)(=O)OC(C)C
InChIInChI=1S/C5H13O3P/c1-5(2)8-9(4,6)7-3/h5H,1-4H3
InChIKeyGDBDOLDINYFAKS-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diisopropyl Fluorophosphate
CID 5936
Diisopropyl Methylphosphonate
CID 3073
Sarin
CID 7871
Tetraisopropyl methylenediphosphonate
CID 74266
Isopropyl methylphosphonate
CID 15778
Diisopropyl phosphite
CID 3072
Diisopropyl phosphate
CID 74162
Ethylsarin
CID 65566
Diethyl methylphosphonate
CID 12685
2-Propyl methylphosphonochloridate
CID 102124
O,O-Diisopropyl phosphonate
CID 6327350
Diisopropyl Phosphorochloridate
CID 164989

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(methyl)phosphoryl]oxypropane?
The IUPAC name of 2-[methoxy(methyl)phosphoryl]oxypropane (CID 522334) is 2-[methoxy(methyl)phosphoryl]oxypropane.
What is the SMILES notation for 2-[methoxy(methyl)phosphoryl]oxypropane?
The canonical SMILES for 2-[methoxy(methyl)phosphoryl]oxypropane is COP(C)(=O)OC(C)C.
What is the InChIKey of 2-[methoxy(methyl)phosphoryl]oxypropane?
The InChIKey is GDBDOLDINYFAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O3P/c1-5(2)8-9(4,6)7-3/h5H,1-4H3.
What are the key properties of 2-[methoxy(methyl)phosphoryl]oxypropane?
2-[methoxy(methyl)phosphoryl]oxypropane has a molecular weight of 152.13 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(methyl)phosphoryl]oxypropane is sourced from PubChem (CID 522334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).