methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate

C10H18O5 — CID 67707533

IUPACmethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate
SMILESCOC(=O)C(C(C)O)C1COC(C)(C)O1
InChIInChI=1S/C10H18O5/c1-6(11)8(9(12)13-4)7-5-14-10(2,3)15-7/h6-8,11H,5H2,1-4H3
InChIKeyWIIQGRPIITZJHX-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.31
Rot. Bonds3

About methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate

methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate (PubChem CID 67707533) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate
PubChem CID67707533
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Namemethyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate
SMILESCOC(=O)C(C(C)O)C1COC(C)(C)O1
InChIInChI=1S/C10H18O5/c1-6(11)8(9(12)13-4)7-5-14-10(2,3)15-7/h6-8,11H,5H2,1-4H3
InChIKeyWIIQGRPIITZJHX-UHFFFAOYSA-N
XLogP0.31
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate 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 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate?
The IUPAC name of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate (CID 67707533) is methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate.
What is the SMILES notation for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate?
The canonical SMILES for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate is COC(=O)C(C(C)O)C1COC(C)(C)O1.
What is the InChIKey of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate?
The InChIKey is WIIQGRPIITZJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-6(11)8(9(12)13-4)7-5-14-10(2,3)15-7/h6-8,11H,5H2,1-4H3.
What are the key properties of methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate?
methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate has a molecular weight of 218.25 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxybutanoate is sourced from PubChem (CID 67707533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).