methyl 5-(acetyloxymethyl)oxolane-2-carboxylate

C9H14O5 — CID 14197301

IUPACmethyl 5-(acetyloxymethyl)oxolane-2-carboxylate
SMILESCOC(=O)C1CCC(COC(C)=O)O1
InChIInChI=1S/C9H14O5/c1-6(10)13-5-7-3-4-8(14-7)9(11)12-2/h7-8H,3-5H2,1-2H3
InChIKeyLWNNFALUBWJNSG-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.27
Rot. Bonds3

About methyl 5-(acetyloxymethyl)oxolane-2-carboxylate

methyl 5-(acetyloxymethyl)oxolane-2-carboxylate (PubChem CID 14197301) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 5-(acetyloxymethyl)oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(acetyloxymethyl)oxolane-2-carboxylate
PubChem CID14197301
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Namemethyl 5-(acetyloxymethyl)oxolane-2-carboxylate
SMILESCOC(=O)C1CCC(COC(C)=O)O1
InChIInChI=1S/C9H14O5/c1-6(10)13-5-7-3-4-8(14-7)9(11)12-2/h7-8H,3-5H2,1-2H3
InChIKeyLWNNFALUBWJNSG-UHFFFAOYSA-N
XLogP0.27
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-(acetyloxymethyl)oxolane-2-carboxylate 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 methyl 5-(acetyloxymethyl)oxolane-2-carboxylate?
The IUPAC name of methyl 5-(acetyloxymethyl)oxolane-2-carboxylate (CID 14197301) is methyl 5-(acetyloxymethyl)oxolane-2-carboxylate.
What is the SMILES notation for methyl 5-(acetyloxymethyl)oxolane-2-carboxylate?
The canonical SMILES for methyl 5-(acetyloxymethyl)oxolane-2-carboxylate is COC(=O)C1CCC(COC(C)=O)O1.
What is the InChIKey of methyl 5-(acetyloxymethyl)oxolane-2-carboxylate?
The InChIKey is LWNNFALUBWJNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-6(10)13-5-7-3-4-8(14-7)9(11)12-2/h7-8H,3-5H2,1-2H3.
What are the key properties of methyl 5-(acetyloxymethyl)oxolane-2-carboxylate?
methyl 5-(acetyloxymethyl)oxolane-2-carboxylate has a molecular weight of 202.21 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(acetyloxymethyl)oxolane-2-carboxylate is sourced from PubChem (CID 14197301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).