2,3,4-trimethoxy-5-(methoxymethyl)oxolane

C9H18O5 — CID 568089

IUPAC2,3,4-trimethoxy-5-(methoxymethyl)oxolane
SMILESCOCC1OC(OC)C(OC)C1OC
InChIInChI=1S/C9H18O5/c1-10-5-6-7(11-2)8(12-3)9(13-4)14-6/h6-9H,5H2,1-4H3
InChIKeyGGXQVNLZJSOZBN-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.03
Rot. Bonds5

About 2,3,4-trimethoxy-5-(methoxymethyl)oxolane

2,3,4-trimethoxy-5-(methoxymethyl)oxolane (PubChem CID 568089) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,3,4-trimethoxy-5-(methoxymethyl)oxolane.

Molecular Properties

Compound Name2,3,4-trimethoxy-5-(methoxymethyl)oxolane
PubChem CID568089
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2,3,4-trimethoxy-5-(methoxymethyl)oxolane
SMILESCOCC1OC(OC)C(OC)C1OC
InChIInChI=1S/C9H18O5/c1-10-5-6-7(11-2)8(12-3)9(13-4)14-6/h6-9H,5H2,1-4H3
InChIKeyGGXQVNLZJSOZBN-UHFFFAOYSA-N
XLogP0.03
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-5-(methoxymethyl)oxolane?
The IUPAC name of 2,3,4-trimethoxy-5-(methoxymethyl)oxolane (CID 568089) is 2,3,4-trimethoxy-5-(methoxymethyl)oxolane.
What is the SMILES notation for 2,3,4-trimethoxy-5-(methoxymethyl)oxolane?
The canonical SMILES for 2,3,4-trimethoxy-5-(methoxymethyl)oxolane is COCC1OC(OC)C(OC)C1OC.
What is the InChIKey of 2,3,4-trimethoxy-5-(methoxymethyl)oxolane?
The InChIKey is GGXQVNLZJSOZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-10-5-6-7(11-2)8(12-3)9(13-4)14-6/h6-9H,5H2,1-4H3.
What are the key properties of 2,3,4-trimethoxy-5-(methoxymethyl)oxolane?
2,3,4-trimethoxy-5-(methoxymethyl)oxolane has a molecular weight of 206.24 g/mol, XLogP of 0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-5-(methoxymethyl)oxolane is sourced from PubChem (CID 568089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).