2-(4-methyl-1,3-dioxolan-2-yl)acetic acid

C6H10O4 — CID 175556854

IUPAC2-(4-methyl-1,3-dioxolan-2-yl)acetic acid
SMILESCC1COC(CC(=O)O)O1
InChIInChI=1S/C6H10O4/c1-4-3-9-6(10-4)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyFMVAWUZSENZBOL-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.22
Rot. Bonds2

About 2-(4-methyl-1,3-dioxolan-2-yl)acetic acid

2-(4-methyl-1,3-dioxolan-2-yl)acetic acid (PubChem CID 175556854) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-(4-methyl-1,3-dioxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-1,3-dioxolan-2-yl)acetic acid
PubChem CID175556854
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-(4-methyl-1,3-dioxolan-2-yl)acetic acid
SMILESCC1COC(CC(=O)O)O1
InChIInChI=1S/C6H10O4/c1-4-3-9-6(10-4)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
InChIKeyFMVAWUZSENZBOL-UHFFFAOYSA-N
XLogP0.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-dioxolan-2-yl)acetic acid?
The IUPAC name of 2-(4-methyl-1,3-dioxolan-2-yl)acetic acid (CID 175556854) is 2-(4-methyl-1,3-dioxolan-2-yl)acetic acid.
What is the SMILES notation for 2-(4-methyl-1,3-dioxolan-2-yl)acetic acid?
The canonical SMILES for 2-(4-methyl-1,3-dioxolan-2-yl)acetic acid is CC1COC(CC(=O)O)O1.
What is the InChIKey of 2-(4-methyl-1,3-dioxolan-2-yl)acetic acid?
The InChIKey is FMVAWUZSENZBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-4-3-9-6(10-4)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-(4-methyl-1,3-dioxolan-2-yl)acetic acid?
2-(4-methyl-1,3-dioxolan-2-yl)acetic acid has a molecular weight of 146.14 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-dioxolan-2-yl)acetic acid is sourced from PubChem (CID 175556854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).