4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid

C15H20O4 — CID 22986255

IUPAC4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid
SMILESCC1(C)OCC(C(C)(C)c2ccc(C(=O)O)cc2)O1
InChIInChI=1S/C15H20O4/c1-14(2,12-9-18-15(3,4)19-12)11-7-5-10(6-8-11)13(16)17/h5-8,12H,9H2,1-4H3,(H,16,17)
InChIKeyGAWFPKRTRWMGFC-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.81
Rot. Bonds3

About 4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid

4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid (PubChem CID 22986255) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid
PubChem CID22986255
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid
SMILESCC1(C)OCC(C(C)(C)c2ccc(C(=O)O)cc2)O1
InChIInChI=1S/C15H20O4/c1-14(2,12-9-18-15(3,4)19-12)11-7-5-10(6-8-11)13(16)17/h5-8,12H,9H2,1-4H3,(H,16,17)
InChIKeyGAWFPKRTRWMGFC-UHFFFAOYSA-N
XLogP2.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid?
The IUPAC name of 4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid (CID 22986255) is 4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid.
What is the SMILES notation for 4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid?
The canonical SMILES for 4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid is CC1(C)OCC(C(C)(C)c2ccc(C(=O)O)cc2)O1.
What is the InChIKey of 4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid?
The InChIKey is GAWFPKRTRWMGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-14(2,12-9-18-15(3,4)19-12)11-7-5-10(6-8-11)13(16)17/h5-8,12H,9H2,1-4H3,(H,16,17).
What are the key properties of 4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid?
4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid is sourced from PubChem (CID 22986255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).