3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid

C10H16O5 — CID 122163903

IUPAC3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid
SMILESO=C(O)CCC1CCC(C2OCCO2)O1
InChIInChI=1S/C10H16O5/c11-9(12)4-2-7-1-3-8(15-7)10-13-5-6-14-10/h7-8,10H,1-6H2,(H,11,12)
InChIKeyHFTRFHJVDTYLAA-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.77
Rot. Bonds4

About 3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid

3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid (PubChem CID 122163903) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid
PubChem CID122163903
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid
SMILESO=C(O)CCC1CCC(C2OCCO2)O1
InChIInChI=1S/C10H16O5/c11-9(12)4-2-7-1-3-8(15-7)10-13-5-6-14-10/h7-8,10H,1-6H2,(H,11,12)
InChIKeyHFTRFHJVDTYLAA-UHFFFAOYSA-N
XLogP0.77
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-methoxy-tetrahydrofuran-2-yl]propanoate
CID 49773801
[(2S)-3-[(2R,3R,4R,5R)-5-[(2R,4R)-2-dodecyl-1,3-dioxolan-4-yl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl] dodecanoate
CID 177377164
[(2S)-3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(2R,4R)-2-tridecyl-1,3-dioxolan-4-yl]oxolan-2-yl]oxy-2-hydroxypropyl] dodecanoate
CID 177377165
[(2S)-3-[(2R,3R,4R,5R)-5-[(2R,4R)-2-heptadecyl-1,3-dioxolan-4-yl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl] dodecanoate
CID 177645935
[(2S)-3-[(2R,3R,4R,5R)-5-[(2S,4R)-2-heptadecyl-1,3-dioxolan-4-yl]-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl] dodecanoate
CID 177647732
[(2S)-3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(2S,4R)-2-undecyl-1,3-dioxolan-4-yl]oxolan-2-yl]oxy-2-hydroxypropyl] dodecanoate
CID 177655068
[(2S)-3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(2R,4R)-2-undecyl-1,3-dioxolan-4-yl]oxolan-2-yl]oxy-2-hydroxypropyl] dodecanoate
CID 177656120
[(2S)-3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(2S,4R)-2-nonyl-1,3-dioxolan-4-yl]oxolan-2-yl]oxy-2-hydroxypropyl] dodecanoate
CID 177656344
[(2S)-3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(2R,4R)-2-nonadecyl-1,3-dioxolan-4-yl]oxolan-2-yl]oxy-2-hydroxypropyl] dodecanoate
CID 177656386
[(2S)-3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(2S,4R)-2-nonadecyl-1,3-dioxolan-4-yl]oxolan-2-yl]oxy-2-hydroxypropyl] dodecanoate
CID 177656776
[(2S)-3-[(2R,3R,4R,5R)-3,4-dihydroxy-5-[(2R,4R)-2-nonyl-1,3-dioxolan-4-yl]oxolan-2-yl]oxy-2-hydroxypropyl] dodecanoate
CID 177657770
5-(5-Hydroxyoxolan-2-yl)oxolan-2-one
CID 126704594

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid?
The IUPAC name of 3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid (CID 122163903) is 3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid is O=C(O)CCC1CCC(C2OCCO2)O1.
What is the InChIKey of 3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid?
The InChIKey is HFTRFHJVDTYLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c11-9(12)4-2-7-1-3-8(15-7)10-13-5-6-14-10/h7-8,10H,1-6H2,(H,11,12).
What are the key properties of 3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid?
3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid has a molecular weight of 216.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid is sourced from PubChem (CID 122163903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).