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

C7H12O4 — CID 14141014

IUPAC2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid
SMILESCC1(C)OCC(CC(=O)O)O1
InChIInChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)3-6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyOIUZBDNWEHNDHO-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.61
Rot. Bonds2

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

2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid (PubChem CID 14141014) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid
PubChem CID14141014
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid
SMILESCC1(C)OCC(CC(=O)O)O1
InChIInChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)3-6(8)9/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyOIUZBDNWEHNDHO-UHFFFAOYSA-N
XLogP0.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl (2,2-dimethyl-1,3-dioxolan-4-yl)acetate
CID 361323
2-(2-Methyl-1,3-dioxolan-2-yl)acetic acid
CID 560044
(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-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
CID 10844960
sodium (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
CID 23682088
2,2,5-Trimethyl-1,3-dioxolane-4-carboxylic acid
CID 315257
5-(Methoxycarbonyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 604898
Methyl (4S)-(+)-2,2-dimethyl-1,3-dioxolane-4-acetate
CID 2733885
Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetate
CID 4053441
Methyl 3,4-O-isopropylidene-L-threonate
CID 10375250
(R)-Methyl 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetate
CID 11073901

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid (CID 14141014) is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid is CC1(C)OCC(CC(=O)O)O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid?
The InChIKey is OIUZBDNWEHNDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)3-6(8)9/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid?
2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid has a molecular weight of 160.17 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)acetic acid is sourced from PubChem (CID 14141014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).