2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid

C10H16O5 — CID 13296186

IUPAC2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
SMILESCC1(CC(=O)O)OC(C(C)(C)C)OC1=O
InChIInChI=1S/C10H16O5/c1-9(2,3)8-14-7(13)10(4,15-8)5-6(11)12/h8H,5H2,1-4H3,(H,11,12)
InChIKeyGCBUNLHQSIRILB-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.17
Rot. Bonds2

About 2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid

2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid (PubChem CID 13296186) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
PubChem CID13296186
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
SMILESCC1(CC(=O)O)OC(C(C)(C)C)OC1=O
InChIInChI=1S/C10H16O5/c1-9(2,3)8-14-7(13)10(4,15-8)5-6(11)12/h8H,5H2,1-4H3,(H,11,12)
InChIKeyGCBUNLHQSIRILB-UHFFFAOYSA-N
XLogP1.17
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid?
The IUPAC name of 2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid (CID 13296186) is 2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid.
What is the SMILES notation for 2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid?
The canonical SMILES for 2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid is CC1(CC(=O)O)OC(C(C)(C)C)OC1=O.
What is the InChIKey of 2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid?
The InChIKey is GCBUNLHQSIRILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-9(2,3)8-14-7(13)10(4,15-8)5-6(11)12/h8H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid?
2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid has a molecular weight of 216.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methyl-5-oxo-1,3-dioxolan-4-yl)acetic acid is sourced from PubChem (CID 13296186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).