2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid

C13H24O4 — CID 54342933

IUPAC2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid
SMILESCC([C@H]1OC(C)(C)OC1(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C13H24O4/c1-8(11(2,3)10(14)15)9-12(4,5)17-13(6,7)16-9/h8-9H,1-7H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyUAGGUPLRHYBXCM-YGPZHTELSA-N
MW244.33 g/mol
LogP2.66
Rot. Bonds3

About 2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid

2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid (PubChem CID 54342933) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid
PubChem CID54342933
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid
SMILESCC([C@H]1OC(C)(C)OC1(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C13H24O4/c1-8(11(2,3)10(14)15)9-12(4,5)17-13(6,7)16-9/h8-9H,1-7H3,(H,14,15)/t8?,9-/m1/s1
InChIKeyUAGGUPLRHYBXCM-YGPZHTELSA-N
XLogP2.66
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid (CID 54342933) is 2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid is CC([C@H]1OC(C)(C)OC1(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid?
The InChIKey is UAGGUPLRHYBXCM-YGPZHTELSA-N. The full InChI is InChI=1S/C13H24O4/c1-8(11(2,3)10(14)15)9-12(4,5)17-13(6,7)16-9/h8-9H,1-7H3,(H,14,15)/t8?,9-/m1/s1.
What are the key properties of 2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid?
2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid has a molecular weight of 244.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butanoic acid is sourced from PubChem (CID 54342933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).