6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C13H24O7 — CID 162993704

IUPAC6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESCC(C)C(OC1OC(C(=O)O)C(O)C(O)C1O)C(C)C
InChIInChI=1S/C13H24O7/c1-5(2)10(6(3)4)19-13-9(16)7(14)8(15)11(20-13)12(17)18/h5-11,13-16H,1-4H3,(H,17,18)
InChIKeyAVNMSENMLXNOTA-UHFFFAOYSA-N
MW292.33 g/mol
LogP-0.42
Rot. Bonds5

About 6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 162993704) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID162993704
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESCC(C)C(OC1OC(C(=O)O)C(O)C(O)C1O)C(C)C
InChIInChI=1S/C13H24O7/c1-5(2)10(6(3)4)19-13-9(16)7(14)8(15)11(20-13)12(17)18/h5-11,13-16H,1-4H3,(H,17,18)
InChIKeyAVNMSENMLXNOTA-UHFFFAOYSA-N
XLogP-0.42
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of 6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 162993704) is 6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for 6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for 6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is CC(C)C(OC1OC(C(=O)O)C(O)C(O)C1O)C(C)C.
What is the InChIKey of 6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid?
The InChIKey is AVNMSENMLXNOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O7/c1-5(2)10(6(3)4)19-13-9(16)7(14)8(15)11(20-13)12(17)18/h5-11,13-16H,1-4H3,(H,17,18).
What are the key properties of 6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid?
6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of -0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 162993704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).