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

C16H22O4 — CID 101360782

IUPACtert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate
SMILESCC(C)(C)OC(=O)CC1(O)CCC(c2ccccc2)O1
InChIInChI=1S/C16H22O4/c1-15(2,3)20-14(17)11-16(18)10-9-13(19-16)12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3
InChIKeyOIVJOQJPMFLHJC-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.96
Rot. Bonds3

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

tert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate (PubChem CID 101360782) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate
PubChem CID101360782
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Nametert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate
SMILESCC(C)(C)OC(=O)CC1(O)CCC(c2ccccc2)O1
InChIInChI=1S/C16H22O4/c1-15(2,3)20-14(17)11-16(18)10-9-13(19-16)12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3
InChIKeyOIVJOQJPMFLHJC-UHFFFAOYSA-N
XLogP2.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(2S,4S)-4-phenyl-1,3-dioxolan-2-yl]acetate
CID 101084646
tert-butyl 2-[(1R,8R,9S)-9-hydroxy-9-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl]acetate
CID 70999549
tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate
CID 11298617
tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate
CID 101369674
tert-butyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate;ethane
CID 177011643
tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate
CID 13312583
tert-butyl (2S,3R)-3-phenyloxirane-2-carboxylate
CID 12750086
tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 125482450
tert-butyl (2S,3S)-3-phenyloxolane-2-carboxylate
CID 11054002
benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 58560493
tert-butyl 2-(1-benzyl-3,3,4,5,5-pentahydroxypiperidin-4-yl)acetate
CID 171659293
tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate
CID 134870526

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate?
The IUPAC name of tert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate (CID 101360782) is tert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate is CC(C)(C)OC(=O)CC1(O)CCC(c2ccccc2)O1.
What is the InChIKey of tert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate?
The InChIKey is OIVJOQJPMFLHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-15(2,3)20-14(17)11-16(18)10-9-13(19-16)12-7-5-4-6-8-12/h4-8,13,18H,9-11H2,1-3H3.
What are the key properties of tert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate?
tert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate has a molecular weight of 278.35 g/mol, XLogP of 2.96, 3 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-phenyloxolan-2-yl)acetate is sourced from PubChem (CID 101360782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).