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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Related Compounds

2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 69412912
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;4-nitrobenzoic acid
CID 71339650
[(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate
CID 175299267
4-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]benzoic acid
CID 67151557
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
4-tert-butylbenzoic acid;copper
CID 67780260
acetic acid;terephthalic acid
CID 158530154
4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)benzoic acid
CID 10779992
4-(3-tert-butyloxetan-3-yl)benzoic acid
CID 116872238
4-(2-methoxypropan-2-yl)benzoic acid
CID 18174432
4-[3-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]phenyl]propoxy]benzoic acid
CID 67087183

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).