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

C6H10O4 — CID 560044

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)acetic acid
SMILESCC1(CC(=O)O)OCCO1
InChIInChI=1S/C6H10O4/c1-6(4-5(7)8)9-2-3-10-6/h2-4H2,1H3,(H,7,8)
InChIKeyFTKBXLIEUSEMPP-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.22
Rot. Bonds2

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

2-(2-methyl-1,3-dioxolan-2-yl)acetic acid (PubChem CID 560044) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)acetic acid
PubChem CID560044
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)acetic acid
SMILESCC1(CC(=O)O)OCCO1
InChIInChI=1S/C6H10O4/c1-6(4-5(7)8)9-2-3-10-6/h2-4H2,1H3,(H,7,8)
InChIKeyFTKBXLIEUSEMPP-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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Related Compounds

Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate
CID 95392
Ethyl acetoacetate ethyleneglycol ketal
CID 80865
(S)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 641720
Methyl (2-methyl-1,3-dioxolan-2-yl)acetate
CID 11816007
(2-Trifluoromethyl-[1,3]dioxolan-2-yl)-acetic acid
CID 582813
2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 10844960
(2,2-Dimethyl-1,3-dioxolan-4-yl)acetic acid
CID 14141014
2-(1,3-Dioxolan-2-yl)acetic acid
CID 21728280
Ethyl 2-fluoro-2-(2-methyl-1,3-dioxolan-2-yl)acetate
CID 14732462
2,2,5-Trimethyl-1,3-dioxolane-4-carboxylic acid
CID 315257
[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 14141015
2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 357864

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)acetic acid?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)acetic acid (CID 560044) is 2-(2-methyl-1,3-dioxolan-2-yl)acetic acid.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)acetic acid?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)acetic acid is CC1(CC(=O)O)OCCO1.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-2-yl)acetic acid?
The InChIKey is FTKBXLIEUSEMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-6(4-5(7)8)9-2-3-10-6/h2-4H2,1H3,(H,7,8).
What are the key properties of 2-(2-methyl-1,3-dioxolan-2-yl)acetic acid?
2-(2-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-(2-methyl-1,3-dioxolan-2-yl)acetic acid is sourced from PubChem (CID 560044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).