2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid

C10H16O4 — CID 12652456

IUPAC2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid
SMILESCC1(C)OC(=O)C(CC(=O)O)C1(C)C
InChIInChI=1S/C10H16O4/c1-9(2)6(5-7(11)12)8(13)14-10(9,3)4/h6H,5H2,1-4H3,(H,11,12)
InChIKeyVHLOCNXDUKMMJW-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.44
Rot. Bonds2

About 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid

2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid (PubChem CID 12652456) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid
PubChem CID12652456
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid
SMILESCC1(C)OC(=O)C(CC(=O)O)C1(C)C
InChIInChI=1S/C10H16O4/c1-9(2)6(5-7(11)12)8(13)14-10(9,3)4/h6H,5H2,1-4H3,(H,11,12)
InChIKeyVHLOCNXDUKMMJW-UHFFFAOYSA-N
XLogP1.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5,5-Dimethyl-2-oxooxolan-3-yl)acetic acid
CID 3142067
2-(5,5-Dimethyloxolan-3-yl)acetic acid
CID 131098872
2-[4-(2-Carboxypropan-2-yl)-5-(fluoromethyl)oxolan-3-yl]-2-methylpropanoic acid
CID 175787214
3-(2,2-Dimethyl-5-oxooxolan-3-yl)propanoic acid
CID 71521827
2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]acetic acid
CID 740831
2-(5-Amyloxymethyl-2-oxotetrahydro-3-furyl)-propanoic acid
CID 129741842
2-(2-Oxo-5-propoxymethyltetrahydro-3-furyl)-propanoic acid
CID 129742433
2-Fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid
CID 81357963
Methyl 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetate
CID 12652455
Methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate
CID 71521826
Methyl 2-(5,5-dimethyl-2-oxooxolan-3-yl)acetate
CID 13758796
2,2-Dimethyl-3-(2,2,5,5-tetramethyl-1,3-dioxolan-4-yl)butanoic acid
CID 20187902

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid?
The IUPAC name of 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid (CID 12652456) is 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid.
What is the SMILES notation for 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid?
The canonical SMILES for 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid is CC1(C)OC(=O)C(CC(=O)O)C1(C)C.
What is the InChIKey of 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid?
The InChIKey is VHLOCNXDUKMMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-9(2)6(5-7(11)12)8(13)14-10(9,3)4/h6H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid?
2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid has a molecular weight of 200.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,5,5-tetramethyl-2-oxooxolan-3-yl)acetic acid is sourced from PubChem (CID 12652456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).