2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane

C19H38O7 — CID 58701347

IUPAC2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane
SMILESCCOCC1OC(OC)C(COCC)C(COCCOC)C1COCC
InChIInChI=1S/C19H38O7/c1-6-22-12-16-15(11-25-10-9-20-4)17(13-23-7-2)19(21-5)26-18(16)14-24-8-3/h15-19H,6-14H2,1-5H3
InChIKeyGJYRHSQNMBRHKM-UHFFFAOYSA-N
MW378.51 g/mol
LogP1.98
Rot. Bonds15

About 2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane

2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane (PubChem CID 58701347) has the molecular formula C19H38O7 and a molecular weight of 378.51 g/mol. Its IUPAC name is 2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane.

Molecular Properties

Compound Name2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane
PubChem CID58701347
Molecular FormulaC19H38O7
Molecular Weight378.51 g/mol
Exact Mass378.26
IUPAC Name2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane
SMILESCCOCC1OC(OC)C(COCC)C(COCCOC)C1COCC
InChIInChI=1S/C19H38O7/c1-6-22-12-16-15(11-25-10-9-20-4)17(13-23-7-2)19(21-5)26-18(16)14-24-8-3/h15-19H,6-14H2,1-5H3
InChIKeyGJYRHSQNMBRHKM-UHFFFAOYSA-N
XLogP1.98
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane?
The IUPAC name of 2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane (CID 58701347) is 2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane.
What is the SMILES notation for 2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane?
The canonical SMILES for 2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane is CCOCC1OC(OC)C(COCC)C(COCCOC)C1COCC.
What is the InChIKey of 2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane?
The InChIKey is GJYRHSQNMBRHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O7/c1-6-22-12-16-15(11-25-10-9-20-4)17(13-23-7-2)19(21-5)26-18(16)14-24-8-3/h15-19H,6-14H2,1-5H3.
What are the key properties of 2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane?
2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane has a molecular weight of 378.51 g/mol, XLogP of 1.98, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tris(ethoxymethyl)-6-methoxy-4-(2-methoxyethoxymethyl)oxane is sourced from PubChem (CID 58701347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).