2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid

C7H10O4 — CID 141319368

IUPAC2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid
SMILESCC1=COC(C)(CC(=O)O)O1
InChIInChI=1S/C7H10O4/c1-5-4-10-7(2,11-5)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKeyJWMHYLFQNLHLRW-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.09
Rot. Bonds2

About 2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid

2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid (PubChem CID 141319368) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid
PubChem CID141319368
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid
SMILESCC1=COC(C)(CC(=O)O)O1
InChIInChI=1S/C7H10O4/c1-5-4-10-7(2,11-5)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKeyJWMHYLFQNLHLRW-UHFFFAOYSA-N
XLogP1.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid?
The IUPAC name of 2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid (CID 141319368) is 2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid?
The canonical SMILES for 2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid is CC1=COC(C)(CC(=O)O)O1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid?
The InChIKey is JWMHYLFQNLHLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-5-4-10-7(2,11-5)3-6(8)9/h4H,3H2,1-2H3,(H,8,9).
What are the key properties of 2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid?
2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid has a molecular weight of 158.15 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-dioxol-2-yl)acetic acid is sourced from PubChem (CID 141319368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).