tert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate

C11H16O6 — CID 70670538

IUPACtert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate
SMILESC=C1OC(C(O)C(=O)OC(C)(C)C)C(O)=C1O
InChIInChI=1S/C11H16O6/c1-5-6(12)7(13)9(16-5)8(14)10(15)17-11(2,3)4/h8-9,12-14H,1H2,2-4H3
InChIKeyFUFIUVLUYHUQKZ-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.93
Rot. Bonds2

About tert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate

tert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate (PubChem CID 70670538) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is tert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nametert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate
PubChem CID70670538
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Nametert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate
SMILESC=C1OC(C(O)C(=O)OC(C)(C)C)C(O)=C1O
InChIInChI=1S/C11H16O6/c1-5-6(12)7(13)9(16-5)8(14)10(15)17-11(2,3)4/h8-9,12-14H,1H2,2-4H3
InChIKeyFUFIUVLUYHUQKZ-UHFFFAOYSA-N
XLogP0.93
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Hex-2-enaro-1,4-lactone ethyl ester
CID 54704415
diethyl 3,4-dihydroxy-5-methyl-2H-furan-2,3-dicarboxylate
CID 21243556
Ethyl 1-ethoxy-3,6-dihydroxycyclohexa-2,4-diene-1-carboxylate
CID 67768611
(3R,4S)-3,4-dihydroxy-3-methyl-5-propan-2-ylideneoxolan-2-one
CID 69395607
1,4-Dihydroxy-5,6-dimethoxy-3-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 69983535
4-O-tert-butyl 1-O-[2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyethyl] butanedioate
CID 70670539
ethyl 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetate
CID 76178760
3-hydroxy-3-[(E)-3-methylbut-1-enyl]-4-[[4-[(E)-3-methylbut-1-enyl]-5-methylidene-2H-furan-3-yl]oxy]oxolan-2-one
CID 138481375
Ethyl 6-ethoxy-1,4-dihydroxycyclohexa-2,4-diene-1-carboxylate
CID 139747089
2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetic acid;ethane
CID 143597048
ethane;methyl 2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyacetate
CID 145468278
[2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyethyl] 3,3-dimethylbutanoate
CID 148570126

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate?
The IUPAC name of tert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate (CID 70670538) is tert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate.
What is the SMILES notation for tert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate?
The canonical SMILES for tert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate is C=C1OC(C(O)C(=O)OC(C)(C)C)C(O)=C1O.
What is the InChIKey of tert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate?
The InChIKey is FUFIUVLUYHUQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-5-6(12)7(13)9(16-5)8(14)10(15)17-11(2,3)4/h8-9,12-14H,1H2,2-4H3.
What are the key properties of tert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate?
tert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate has a molecular weight of 244.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3,4-dihydroxy-5-methylidene-2H-furan-2-yl)-2-hydroxyacetate is sourced from PubChem (CID 70670538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).