2-(dimethoxymethyl)-2,5-dimethoxyoxolane

C9H18O5 — CID 3033323

IUPAC2-(dimethoxymethyl)-2,5-dimethoxyoxolane
SMILESCOC1CCC(OC)(C(OC)OC)O1
InChIInChI=1S/C9H18O5/c1-10-7-5-6-9(13-4,14-7)8(11-2)12-3/h7-8H,5-6H2,1-4H3
InChIKeyUYPVDAPQHYMIRL-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.73
Rot. Bonds5

About 2-(dimethoxymethyl)-2,5-dimethoxyoxolane

2-(dimethoxymethyl)-2,5-dimethoxyoxolane (PubChem CID 3033323) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-2,5-dimethoxyoxolane.

Molecular Properties

Compound Name2-(dimethoxymethyl)-2,5-dimethoxyoxolane
PubChem CID3033323
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-(dimethoxymethyl)-2,5-dimethoxyoxolane
SMILESCOC1CCC(OC)(C(OC)OC)O1
InChIInChI=1S/C9H18O5/c1-10-7-5-6-9(13-4,14-7)8(11-2)12-3/h7-8H,5-6H2,1-4H3
InChIKeyUYPVDAPQHYMIRL-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-2,5-dimethoxyoxolane?
The IUPAC name of 2-(dimethoxymethyl)-2,5-dimethoxyoxolane (CID 3033323) is 2-(dimethoxymethyl)-2,5-dimethoxyoxolane.
What is the SMILES notation for 2-(dimethoxymethyl)-2,5-dimethoxyoxolane?
The canonical SMILES for 2-(dimethoxymethyl)-2,5-dimethoxyoxolane is COC1CCC(OC)(C(OC)OC)O1.
What is the InChIKey of 2-(dimethoxymethyl)-2,5-dimethoxyoxolane?
The InChIKey is UYPVDAPQHYMIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-10-7-5-6-9(13-4,14-7)8(11-2)12-3/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(dimethoxymethyl)-2,5-dimethoxyoxolane?
2-(dimethoxymethyl)-2,5-dimethoxyoxolane has a molecular weight of 206.24 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-2,5-dimethoxyoxolane is sourced from PubChem (CID 3033323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).