4,5-bis(methoxymethyl)-1,3-dioxolan-2-one

C7H12O5 — CID 18353942

IUPAC4,5-bis(methoxymethyl)-1,3-dioxolan-2-one
SMILESCOCC1OC(=O)OC1COC
InChIInChI=1S/C7H12O5/c1-9-3-5-6(4-10-2)12-7(8)11-5/h5-6H,3-4H2,1-2H3
InChIKeyVTGNJNVVVLCURW-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.18
Rot. Bonds4

About 4,5-bis(methoxymethyl)-1,3-dioxolan-2-one

4,5-bis(methoxymethyl)-1,3-dioxolan-2-one (PubChem CID 18353942) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4,5-bis(methoxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4,5-bis(methoxymethyl)-1,3-dioxolan-2-one
PubChem CID18353942
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name4,5-bis(methoxymethyl)-1,3-dioxolan-2-one
SMILESCOCC1OC(=O)OC1COC
InChIInChI=1S/C7H12O5/c1-9-3-5-6(4-10-2)12-7(8)11-5/h5-6H,3-4H2,1-2H3
InChIKeyVTGNJNVVVLCURW-UHFFFAOYSA-N
XLogP0.18
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5-bis(methoxymethyl)-1,3-dioxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Butylene carbonate
CID 107282
(4R,5R)-4,5-Dimethyl-1,3-dioxolan-2-one
CID 10654203
rel-(4R,5S)-4,5-Dimethyl-1,3-dioxolan-2-one
CID 11434932
rel-(4R,4'S)-(4,4'-Bi-1,3-dioxolane)-2,2'-dione
CID 16219302
Trans-2,3-Butylene carbonate
CID 10080377
(4S)-4-ethyl-1,3-dioxolan-2-one
CID 7015599
Npc200692
CID 536113
(4R)-4-(methoxymethyl)-1,3-dioxolan-2-one
CID 13706498
4-(Methoxymethyl)-1,3-dioxolan-2-one
CID 4384485
1,3-Dioxolan-2-one, 4-(butoxymethyl)-
CID 9920498
4-{[(Propan-2-yl)oxy]methyl}-1,3-dioxolan-2-one
CID 42610261
4-(2-Oxo-1,3-dioxolan-4-yl)-1,3-dioxolan-2-one
CID 3661569

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(methoxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4,5-bis(methoxymethyl)-1,3-dioxolan-2-one (CID 18353942) is 4,5-bis(methoxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4,5-bis(methoxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4,5-bis(methoxymethyl)-1,3-dioxolan-2-one is COCC1OC(=O)OC1COC.
What is the InChIKey of 4,5-bis(methoxymethyl)-1,3-dioxolan-2-one?
The InChIKey is VTGNJNVVVLCURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-9-3-5-6(4-10-2)12-7(8)11-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,5-bis(methoxymethyl)-1,3-dioxolan-2-one?
4,5-bis(methoxymethyl)-1,3-dioxolan-2-one has a molecular weight of 176.17 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(methoxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 18353942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).