3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane

C17H26O5 — CID 59847084

IUPAC3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane
SMILESCOCC1OC(c2ccc(C)cc2)C(OC)C(OC)C1OC
InChIInChI=1S/C17H26O5/c1-11-6-8-12(9-7-11)14-16(20-4)17(21-5)15(19-3)13(22-14)10-18-2/h6-9,13-17H,10H2,1-5H3
InChIKeyPEIDMUXYLRKRID-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.13
Rot. Bonds6

About 3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane

3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane (PubChem CID 59847084) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is 3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane.

Molecular Properties

Compound Name3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane
PubChem CID59847084
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane
SMILESCOCC1OC(c2ccc(C)cc2)C(OC)C(OC)C1OC
InChIInChI=1S/C17H26O5/c1-11-6-8-12(9-7-11)14-16(20-4)17(21-5)15(19-3)13(22-14)10-18-2/h6-9,13-17H,10H2,1-5H3
InChIKeyPEIDMUXYLRKRID-UHFFFAOYSA-N
XLogP2.13
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane?
The IUPAC name of 3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane (CID 59847084) is 3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane.
What is the SMILES notation for 3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane?
The canonical SMILES for 3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane is COCC1OC(c2ccc(C)cc2)C(OC)C(OC)C1OC.
What is the InChIKey of 3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane?
The InChIKey is PEIDMUXYLRKRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5/c1-11-6-8-12(9-7-11)14-16(20-4)17(21-5)15(19-3)13(22-14)10-18-2/h6-9,13-17H,10H2,1-5H3.
What are the key properties of 3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane?
3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane has a molecular weight of 310.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-2-(methoxymethyl)-6-(4-methylphenyl)oxane is sourced from PubChem (CID 59847084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).