methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate

C8H14O4 — CID 2733885

IUPACmethyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C8H14O4/c1-8(2)11-5-6(12-8)4-7(9)10-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyAEMMCWMMNLSHFT-LURJTMIESA-N
MW174.20 g/mol
LogP0.70
Rot. Bonds2

About methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate

methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate (PubChem CID 2733885) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
PubChem CID2733885
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namemethyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)C[C@H]1COC(C)(C)O1
InChIInChI=1S/C8H14O4/c1-8(2)11-5-6(12-8)4-7(9)10-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyAEMMCWMMNLSHFT-LURJTMIESA-N
XLogP0.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate 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-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate (CID 2733885) is methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate is COC(=O)C[C@H]1COC(C)(C)O1.
What is the InChIKey of methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate?
The InChIKey is AEMMCWMMNLSHFT-LURJTMIESA-N. The full InChI is InChI=1S/C8H14O4/c1-8(2)11-5-6(12-8)4-7(9)10-3/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate?
methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate has a molecular weight of 174.20 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 2733885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).