ethane;4-(methoxymethyl)-1,3-dioxol-2-one

C7H12O4 — CID 143334465

IUPACethane;4-(methoxymethyl)-1,3-dioxol-2-one
SMILESCC.COCc1coc(=O)o1
InChIInChI=1S/C5H6O4.C2H6/c1-7-2-4-3-8-5(6)9-4;1-2/h3H,2H2,1H3;1-2H3
InChIKeyFWVIZXGUGHRFJY-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.41
Rot. Bonds2

About ethane;4-(methoxymethyl)-1,3-dioxol-2-one

ethane;4-(methoxymethyl)-1,3-dioxol-2-one (PubChem CID 143334465) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is ethane;4-(methoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Nameethane;4-(methoxymethyl)-1,3-dioxol-2-one
PubChem CID143334465
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Nameethane;4-(methoxymethyl)-1,3-dioxol-2-one
SMILESCC.COCc1coc(=O)o1
InChIInChI=1S/C5H6O4.C2H6/c1-7-2-4-3-8-5(6)9-4;1-2/h3H,2H2,1H3;1-2H3
InChIKeyFWVIZXGUGHRFJY-UHFFFAOYSA-N
XLogP1.41
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;4-(methoxymethyl)-1,3-dioxol-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

Frequently Asked Questions

What is the IUPAC name of ethane;4-(methoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of ethane;4-(methoxymethyl)-1,3-dioxol-2-one (CID 143334465) is ethane;4-(methoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for ethane;4-(methoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for ethane;4-(methoxymethyl)-1,3-dioxol-2-one is CC.COCc1coc(=O)o1.
What is the InChIKey of ethane;4-(methoxymethyl)-1,3-dioxol-2-one?
The InChIKey is FWVIZXGUGHRFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4.C2H6/c1-7-2-4-3-8-5(6)9-4;1-2/h3H,2H2,1H3;1-2H3.
What are the key properties of ethane;4-(methoxymethyl)-1,3-dioxol-2-one?
ethane;4-(methoxymethyl)-1,3-dioxol-2-one has a molecular weight of 160.17 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(methoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 143334465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).