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

C37H84O18 — CID 161451155

About 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

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 (PubChem CID 161451155) has the molecular formula C37H84O18 and a molecular weight of 817.06 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161451155
• Molecular Formula: C37H84O18
• Molecular Weight: 817.06 g/mol
• Exact Mass: 816.57
• IUPAC Name: 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
• SMILES: COCC(COC)(COC)COC.COCC(COC)OC.COCC(COCC(COC)OC)OC.COCC(OC)C(COC)OC.COCCOC
• InChI: InChI=1S/C10H22O5.C9H20O4.C8H18O4.C6H14O3.C4H10O2/c1-11-5-9(13-3)7-15-8-10(14-4)6-12-2;1-10-5-9(6-11-2,7-12-3)8-13-4;1-9-5-7(11-3)8(12-4)6-10-2;1-7-4-6(9-3)5-8-2;1-5-3-4-6-2/h9-10H,5-8H2,1-4H3;5-8H2,1-4H3;7-8H,5-6H2,1-4H3;6H,4-5H2,1-3H3;3-4H2,1-2H3
• InChIKey: WANWDBQSNXXRQL-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 166.14 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 33
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.06
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COCC(COC)(COC)COC.COCC(COC)OC.COCC(COCC(COC)OC)OC.COCC(OC)C(COC)OC.COCCOC.

What is the InChIKey of 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?

The InChIKey is WANWDBQSNXXRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5.C9H20O4.C8H18O4.C6H14O3.C4H10O2/c1-11-5-9(13-3)7-15-8-10(14-4)6-12-2;1-10-5-9(6-11-2,7-12-3)8-13-4;1-9-5-7(11-3)8(12-4)6-10-2;1-7-4-6(9-3)5-8-2;1-5-3-4-6-2/h9-10H,5-8H2,1-4H3;5-8H2,1-4H3;7-8H,5-6H2,1-4H3;6H,4-5H2,1-3H3;3-4H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 817.06 g/mol, XLogP of 1.77, 33 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161451155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).