5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid

C14H24O6 — CID 15186645

IUPAC5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)C(CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H24O6/c1-13(2,3)19-11(17)9(7-8-10(15)16)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,16)
InChIKeyFGFGFOJWIVDKDO-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.15
Rot. Bonds5

About 5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid

5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid (PubChem CID 15186645) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid
PubChem CID15186645
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)C(CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C14H24O6/c1-13(2,3)19-11(17)9(7-8-10(15)16)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,16)
InChIKeyFGFGFOJWIVDKDO-UHFFFAOYSA-N
XLogP2.15
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-[(2-methylpropan-2-yl)oxy]-6-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxoheptanoic acid
CID 175493030
heptane-1,1,7,7-tetracarboxylic acid;methane;nonanedioic acid;tetratert-butyl heptane-1,1,7,7-tetracarboxylate
CID 157481862
(4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58427308
2-[(2-methylpropan-2-yl)oxycarbonyl]butanedioic acid
CID 54139200
1-O,3-O-bis(aminomethyl) 1-O-tert-butyl (1R)-propane-1,1,3-tricarboxylate
CID 174731876
4-[[1,3-bis[(2-methylpropan-2-yl)oxy]-1,3-dioxopropan-2-yl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 87722888
(4R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(propan-2-ylamino)pentanoic acid
CID 155043416
4-[(2-methylpropan-2-yl)oxycarbonyl]-12-[8-[(2-methylpropan-2-yl)oxy]-8-oxooctyl]sulfanyl-5-oxododecanoic acid
CID 141446498
7-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid
CID 139967300
(4S)-4-amino-6-[(2-methylpropan-2-yl)oxy]-5,6-dioxohexanoic acid
CID 57090441
ditert-butyl 2-(6-oxoheptyl)propanedioate
CID 58794714
(2S)-2-aminopentanedioic acid;ditert-butyl carbonate;hydrochloride
CID 172690436

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid (CID 15186645) is 5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid is CC(C)(C)OC(=O)C(CCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid?
The InChIKey is FGFGFOJWIVDKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-13(2,3)19-11(17)9(7-8-10(15)16)12(18)20-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,16).
What are the key properties of 5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid?
5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid has a molecular weight of 288.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid is sourced from PubChem (CID 15186645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).