tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate

C11H20O4 — CID 10262757

IUPACtert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate
SMILESCC1CCC(O)(CC(=O)OC(C)(C)C)O1
InChIInChI=1S/C11H20O4/c1-8-5-6-11(13,14-8)7-9(12)15-10(2,3)4/h8,13H,5-7H2,1-4H3
InChIKeyABHOOMMZKFAWQW-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.61
Rot. Bonds2

About tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate

tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate (PubChem CID 10262757) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate
PubChem CID10262757
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nametert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate
SMILESCC1CCC(O)(CC(=O)OC(C)(C)C)O1
InChIInChI=1S/C11H20O4/c1-8-5-6-11(13,14-8)7-9(12)15-10(2,3)4/h8,13H,5-7H2,1-4H3
InChIKeyABHOOMMZKFAWQW-UHFFFAOYSA-N
XLogP1.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2-Hydroxy-2-oxoethyl)tetrahydrofuran-5-yl]hexanoic acid
CID 13220195
5-(3-(Tert-butoxy)-3-oxopropyl)oxolane-3-carboxylic acid
CID 137838044
Tert-butyl 2-(2-hydroxyoxan-2-yl)acetate
CID 10082029
2-(2-nonyl-1,3-dioxolan-2-yl)acetic Acid
CID 11288385
tert-Butyl (3R)-3-hydroxydecanoate
CID 16110964
(S)-3-hydroxydecanoic acid t-butyl ester
CID 16110967
2-Furanacetic acid, tetrahydro-2-hydroxy-, 1,1-dimethylethyl ester
CID 11298617
5-n-Hexyl-tetrahydrofuran-2-acetic acid
CID 14377093
5-n-Octyl-tetrahydrofuran-2-acetic acid
CID 14377094
5-n-Decyl-tetrahydrofuran-2-acetic acid
CID 14377096
Methyl 9-hydroxy-3,6-epoxydecanoate
CID 74410074
Methyl 3-hydroxy-6,9-epoxydecanoate
CID 74410268

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate?
The IUPAC name of tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate (CID 10262757) is tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate is CC1CCC(O)(CC(=O)OC(C)(C)C)O1.
What is the InChIKey of tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate?
The InChIKey is ABHOOMMZKFAWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-8-5-6-11(13,14-8)7-9(12)15-10(2,3)4/h8,13H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate?
tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate has a molecular weight of 216.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate is sourced from PubChem (CID 10262757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).