2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid

C14H24O7 — CID 141161538

IUPAC2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid
SMILESCCCOC(CC(=O)O)(CC(=O)OC(C)(C)CC)C(=O)O
InChIInChI=1S/C14H24O7/c1-5-7-20-14(12(18)19,8-10(15)16)9-11(17)21-13(3,4)6-2/h5-9H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyGKQPOCTWYPWFKY-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.83
Rot. Bonds10

About 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid

2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid (PubChem CID 141161538) has the molecular formula C14H24O7 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid.

Molecular Properties

Compound Name2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid
PubChem CID141161538
Molecular FormulaC14H24O7
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid
SMILESCCCOC(CC(=O)O)(CC(=O)OC(C)(C)CC)C(=O)O
InChIInChI=1S/C14H24O7/c1-5-7-20-14(12(18)19,8-10(15)16)9-11(17)21-13(3,4)6-2/h5-9H2,1-4H3,(H,15,16)(H,18,19)
InChIKeyGKQPOCTWYPWFKY-UHFFFAOYSA-N
XLogP1.83
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid
CID 57221790
2-[3-(1,2,3-tricarboxypropan-2-yloxy)propoxy]propane-1,2,3-tricarboxylic acid
CID 58640862
2-[2-(2-ethoxyethoxy)ethoxy]-2-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-2-oxoethyl]butanedioic acid
CID 175340096
2-methylbutan-2-yl 2-(2-methylbutan-2-yloxy)acetate
CID 140993287
2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid
CID 88843175
2-butoxypropane-1,2,3-tricarboxylic acid;4-(4-hydroxybutoxy)butan-1-ol
CID 87567102
2-hexoxy-2-octylbutanedioic acid
CID 54422145
4-[3-(2-methylbutan-2-yloxy)-3-oxopropoxy]-4-oxobutanoic acid
CID 20776605
2-methylbutan-2-yl 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]peroxyacetate
CID 141485215
3-[4-(2-methylbutan-2-yloxy)-4-oxobutyl]peroxypropanoic acid
CID 58954431
2-(14-methylpentadecoxy)propane-1,2,3-tricarboxylic acid
CID 175054838
2-decoxy-2-ethylbutanoic acid
CID 138578040

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid?
The IUPAC name of 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid (CID 141161538) is 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid.
What is the SMILES notation for 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid?
The canonical SMILES for 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid is CCCOC(CC(=O)O)(CC(=O)OC(C)(C)CC)C(=O)O.
What is the InChIKey of 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid?
The InChIKey is GKQPOCTWYPWFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O7/c1-5-7-20-14(12(18)19,8-10(15)16)9-11(17)21-13(3,4)6-2/h5-9H2,1-4H3,(H,15,16)(H,18,19).
What are the key properties of 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid?
2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid has a molecular weight of 304.34 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylbutan-2-yloxy)-2-oxoethyl]-2-propoxybutanedioic acid is sourced from PubChem (CID 141161538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).