2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane

C7H17O4P — CID 556594

IUPAC2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane
SMILESCCOP(C)(=O)OC(C)COC
InChIInChI=1S/C7H17O4P/c1-5-10-12(4,8)11-7(2)6-9-3/h7H,5-6H2,1-4H3
InChIKeyRUUYIRQTRHEDNP-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.90
Rot. Bonds6

About 2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane

2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane (PubChem CID 556594) has the molecular formula C7H17O4P and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane.

Molecular Properties

Compound Name2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane
PubChem CID556594
Molecular FormulaC7H17O4P
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Name2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane
SMILESCCOP(C)(=O)OC(C)COC
InChIInChI=1S/C7H17O4P/c1-5-10-12(4,8)11-7(2)6-9-3/h7H,5-6H2,1-4H3
InChIKeyRUUYIRQTRHEDNP-UHFFFAOYSA-N
XLogP1.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(methyl)phosphoryl]oxy-1,1,1,3,3,3-hexafluoropropane
CID 11862329
(1R)-1-diethoxyphosphoryl-3-methoxypropan-1-ol
CID 125471550
1-[2-methoxyethoxy(methyl)phosphoryl]oxy-2-methylpropane
CID 170850888
3-diethoxyphosphorylbut-1-ene
CID 13357671
2-methyl-1-[methyl(propoxy)phosphoryl]oxypropane
CID 86168978
2-diethoxyphosphorylbutane
CID 2733649
1-diethoxyphosphorylethanamine
CID 5149858
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
diethyl 2-methoxyethyl phosphate
CID 547489
ethyl (2R)-2-[ethoxy(methyl)phosphoryl]oxy-3,3,3-trifluoropropanoate
CID 11864422
2-[butan-2-yloxy-(diethoxyphosphorylamino)phosphoryl]oxybutane
CID 4054615
methoxyethane;1-methoxypropan-2-yl acetate
CID 174926561

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane?
The IUPAC name of 2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane (CID 556594) is 2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane.
What is the SMILES notation for 2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane?
The canonical SMILES for 2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane is CCOP(C)(=O)OC(C)COC.
What is the InChIKey of 2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane?
The InChIKey is RUUYIRQTRHEDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4P/c1-5-10-12(4,8)11-7(2)6-9-3/h7H,5-6H2,1-4H3.
What are the key properties of 2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane?
2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane has a molecular weight of 196.18 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane is sourced from PubChem (CID 556594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).