tert-butyl 2-(2-hydroxyoxan-2-yl)acetate

C11H20O4 — CID 10082029

IUPACtert-butyl 2-(2-hydroxyoxan-2-yl)acetate
SMILESCC(C)(C)OC(=O)CC1(O)CCCCO1
InChIInChI=1S/C11H20O4/c1-10(2,3)15-9(12)8-11(13)6-4-5-7-14-11/h13H,4-8H2,1-3H3
InChIKeyJPVPWEDMDGULKJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.61
Rot. Bonds2

About tert-butyl 2-(2-hydroxyoxan-2-yl)acetate

tert-butyl 2-(2-hydroxyoxan-2-yl)acetate (PubChem CID 10082029) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxyoxan-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxyoxan-2-yl)acetate
PubChem CID10082029
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nametert-butyl 2-(2-hydroxyoxan-2-yl)acetate
SMILESCC(C)(C)OC(=O)CC1(O)CCCCO1
InChIInChI=1S/C11H20O4/c1-10(2,3)15-9(12)8-11(13)6-4-5-7-14-11/h13H,4-8H2,1-3H3
InChIKeyJPVPWEDMDGULKJ-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

ethyl 2,2-difluoro-2-(2-hydroxytetrahydro-2H-pyran-2-yl)acetate
CID 12174170
Tert-butyl 2-(2-hydroxy-5-methyloxolan-2-yl)acetate
CID 10262757
Ethyl 2-[2-hydroxy-6-(iodomethyl)oxan-2-yl]acetate
CID 11823627
2-[(4R,6R)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]acetic acid
CID 25059018
Ethyl 2-(2-hydroxyoxan-2-yl)-2-methylpropanoate
CID 102166126
Ethyl 2-(2-methoxyoxan-2-yl)acetate
CID 102422761
2-(2-Hydroxyoxan-2-yl)acetic acid
CID 134863470
Tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 134997982
Propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate
CID 134998176
methyl 2-[(4R)-2-hydroxy-4-(methoxymethoxy)oxan-2-yl]acetate
CID 135060233
tert-butyl 2-[(4R,6R)-6-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 11437280
Ethyl 2-(2-hydroxyoxan-2-yl)acetate
CID 11735612

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxyoxan-2-yl)acetate?
The IUPAC name of tert-butyl 2-(2-hydroxyoxan-2-yl)acetate (CID 10082029) is tert-butyl 2-(2-hydroxyoxan-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-hydroxyoxan-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-hydroxyoxan-2-yl)acetate is CC(C)(C)OC(=O)CC1(O)CCCCO1.
What is the InChIKey of tert-butyl 2-(2-hydroxyoxan-2-yl)acetate?
The InChIKey is JPVPWEDMDGULKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-10(2,3)15-9(12)8-11(13)6-4-5-7-14-11/h13H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-(2-hydroxyoxan-2-yl)acetate?
tert-butyl 2-(2-hydroxyoxan-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-hydroxyoxan-2-yl)acetate is sourced from PubChem (CID 10082029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).