2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid

C13H22O6 — CID 69412912

IUPAC2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
SMILESCC1(C)OCC(C(C)(C(=O)O)C2COC(C)(C)O2)O1
InChIInChI=1S/C13H22O6/c1-11(2)16-6-8(18-11)13(5,10(14)15)9-7-17-12(3,4)19-9/h8-9H,6-7H2,1-5H3,(H,14,15)
InChIKeyIPWAJODYCVQKKH-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.38
Rot. Bonds3

About 2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid

2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid (PubChem CID 69412912) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid.

Molecular Properties

Compound Name2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
PubChem CID69412912
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
SMILESCC1(C)OCC(C(C)(C(=O)O)C2COC(C)(C)O2)O1
InChIInChI=1S/C13H22O6/c1-11(2)16-6-8(18-11)13(5,10(14)15)9-7-17-12(3,4)19-9/h8-9H,6-7H2,1-5H3,(H,14,15)
InChIKeyIPWAJODYCVQKKH-UHFFFAOYSA-N
XLogP1.38
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-yl]benzoic acid
CID 22986255
methyl (2S,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylbutanoate
CID 72548059
2-chloro-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylpropanoic acid
CID 175078711
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 151976958
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride
CID 69349368
(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylbut-2-enoic acid
CID 68635756
potassium;(4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydride
CID 173083628
3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanoic acid
CID 70971511
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 14141015
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methylhept-5-en-2-ol
CID 11470214
[(2,2-dimethyl-1,3-dioxolan-4-yl)-diphenylmethyl] dihydrogen phosphate
CID 175299267

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid?
The IUPAC name of 2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid (CID 69412912) is 2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid.
What is the SMILES notation for 2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid?
The canonical SMILES for 2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid is CC1(C)OCC(C(C)(C(=O)O)C2COC(C)(C)O2)O1.
What is the InChIKey of 2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid?
The InChIKey is IPWAJODYCVQKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O6/c1-11(2)16-6-8(18-11)13(5,10(14)15)9-7-17-12(3,4)19-9/h8-9H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid?
2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid has a molecular weight of 274.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid is sourced from PubChem (CID 69412912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).