3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid

C14H24O6 — CID 91128443

IUPAC3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid
SMILESCC1(C)OCC(C2C(CCC(=O)O)OC(C)(C)C2O)O1
InChIInChI=1S/C14H24O6/c1-13(2)12(17)11(8(19-13)5-6-10(15)16)9-7-18-14(3,4)20-9/h8-9,11-12,17H,5-7H2,1-4H3,(H,15,16)
InChIKeyISEFJNOWZSQGRA-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.16
Rot. Bonds4

About 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid

3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid (PubChem CID 91128443) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid
PubChem CID91128443
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid
SMILESCC1(C)OCC(C2C(CCC(=O)O)OC(C)(C)C2O)O1
InChIInChI=1S/C14H24O6/c1-13(2)12(17)11(8(19-13)5-6-10(15)16)9-7-18-14(3,4)20-9/h8-9,11-12,17H,5-7H2,1-4H3,(H,15,16)
InChIKeyISEFJNOWZSQGRA-UHFFFAOYSA-N
XLogP1.16
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid with MolForge

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Related Compounds

beta-D-Fructofuranosyl-alpha-D-glucopyranoside, monododecanoate
CID 5360776
Saccharose distearate
CID 5360827
Sucrose Dilaurate
CID 5484289
Sucrose laurate
CID 78387808
2,5-Anhydro-5-(hydroxymethyl)-6-O-tetradecanoylundec-6-ulopyranose
CID 161558
(R)-5-{(6S,11S)-6,11-Dihydroxy-11-[(2S,5S)-5-((S)-1-hydroxy-tridecyl)-tetrahydro-furan-2-yl]-undecyl}-3-(2-hydroxy-propyl)-dihydro-furan-2-one
CID 44353660
(S)-5-Methyl-3-{(2R,8S,13S)-2,8,13-trihydroxy-13-[(2S,5S)-5-((S)-1-hydroxy-tridecyl)-tetrahydro-furan-2-yl]-tridecyl}-dihydro-furan-2-one
CID 44353869
Unii-E34VV1087R
CID 188302
Tetrahydrosquamone
CID 44567044
[2-[3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-2-dodecanoyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] dodecanoate
CID 78392981
Sucrosedilaurate
CID 170838256
(3S,5S)-3-(2-hydroxyethyl)-5-[(2R)-2-hydroxypropyl]oxolan-2-one
CID 641678

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid?
The IUPAC name of 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid (CID 91128443) is 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid.
What is the SMILES notation for 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid?
The canonical SMILES for 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid is CC1(C)OCC(C2C(CCC(=O)O)OC(C)(C)C2O)O1.
What is the InChIKey of 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid?
The InChIKey is ISEFJNOWZSQGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-13(2)12(17)11(8(19-13)5-6-10(15)16)9-7-18-14(3,4)20-9/h8-9,11-12,17H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid?
3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid has a molecular weight of 288.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-5,5-dimethyloxolan-2-yl]propanoic acid is sourced from PubChem (CID 91128443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).