1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane

C9H20O5 — CID 88943505

IUPAC1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane
SMILESCOCCOCOCC(COC)OC
InChIInChI=1S/C9H20O5/c1-10-4-5-13-8-14-7-9(12-3)6-11-2/h9H,4-8H2,1-3H3
InChIKeySPYTXWVWYRWWSO-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.28
Rot. Bonds10

About 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane

1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane (PubChem CID 88943505) has the molecular formula C9H20O5 and a molecular weight of 208.25 g/mol. Its IUPAC name is 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane.

Molecular Properties

Compound Name1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane
PubChem CID88943505
Molecular FormulaC9H20O5
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane
SMILESCOCCOCOCC(COC)OC
InChIInChI=1S/C9H20O5/c1-10-4-5-13-8-14-7-9(12-3)6-11-2/h9H,4-8H2,1-3H3
InChIKeySPYTXWVWYRWWSO-UHFFFAOYSA-N
XLogP0.28
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(ethoxymethoxy)ethoxy]-2,3-dimethoxypropane
CID 87688301
1-methoxy-2-(methoxymethoxymethoxy)ethane
CID 91553787
1,3-dimethoxy-2,2-bis(methoxymethyl)propane;1,2-dimethoxyethane;1-(2,3-dimethoxypropoxy)-2,3-dimethoxypropane;1,2,3,4-tetramethoxybutane;1,2,3-trimethoxypropane
CID 161451155
1-(ethoxymethoxy)-2-methoxyethane
CID 18398264
1,2,5,6-tetramethoxyhexane
CID 18679814
2-(2-methoxyethoxymethoxy)ethanamine
CID 19350391
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1,3-bis(2,3-dimethoxypropoxy)-2,2-bis(2,3-dimethoxypropoxymethyl)propane;1,3-dimethoxy-2,2-bis(methoxymethyl)propane;1,3-dimethoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propane;1,3-dimethoxy-2-[[3-methoxy-2-[[3-methoxy-2,2-bis(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propoxy]methyl]-2-(methoxymethyl)propane;1-(2,3-dimethoxypropoxy)-2,3-dimethoxypropane;1,2,3-trimethoxypropane
CID 162042818
[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
CID 118688296
1-(2-methoxyethoxymethoxy)-4-methylpentane
CID 157079781

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane?
The IUPAC name of 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane (CID 88943505) is 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane.
What is the SMILES notation for 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane?
The canonical SMILES for 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane is COCCOCOCC(COC)OC.
What is the InChIKey of 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane?
The InChIKey is SPYTXWVWYRWWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5/c1-10-4-5-13-8-14-7-9(12-3)6-11-2/h9H,4-8H2,1-3H3.
What are the key properties of 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane?
1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane has a molecular weight of 208.25 g/mol, XLogP of 0.28, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)propane is sourced from PubChem (CID 88943505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).