tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

C15H28O5 — CID 134997982

IUPACtert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCC(C)(C)OC(=O)C(OC(C)(C)C)C1(O)CCCCO1
InChIInChI=1S/C15H28O5/c1-13(2,3)19-11(12(16)20-14(4,5)6)15(17)9-7-8-10-18-15/h11,17H,7-10H2,1-6H3
InChIKeyLHJZQXXYLRDXBI-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.40
Rot. Bonds3

About tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 134997982) has the molecular formula C15H28O5 and a molecular weight of 288.38 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID134997982
Molecular FormulaC15H28O5
Molecular Weight288.38 g/mol
Exact Mass288.19
IUPAC Nametert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCC(C)(C)OC(=O)C(OC(C)(C)C)C1(O)CCCCO1
InChIInChI=1S/C15H28O5/c1-13(2,3)19-11(12(16)20-14(4,5)6)15(17)9-7-8-10-18-15/h11,17H,7-10H2,1-6H3
InChIKeyLHJZQXXYLRDXBI-UHFFFAOYSA-N
XLogP2.40
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 2-(2-hydroxyoxan-2-yl)acetate
CID 10082029
Tetrahydropyranyl ethyl lactate
CID 21501267
Methyl-alpha-d-glucuronic acid
CID 129678280
Ethyl-beta glucuronic acid
CID 129849779
2-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 134892533
ethyl (2S)-2-[(2R,5R,6R)-6-ethyl-2-hydroxy-5-[(2S)-2-methylbutyl]oxan-2-yl]-2-hydroxypropanoate
CID 11638268
2-Hydroxytetrahydropyran-2,6-dicarboxylic acid
CID 53898096
Methyl-ketohexose
CID 77981612
Methyl 2-hydroxy-6-methyloxane-2-carboxylate
CID 85352815
methyl (2R,6R)-6-ethyl-2-hydroxyoxane-2-carboxylate
CID 102124216
Tetrahydropyranyl ethyl glycolate
CID 129668851
Glucose lactate formate
CID 129698111

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (CID 134997982) is tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is CC(C)(C)OC(=O)C(OC(C)(C)C)C1(O)CCCCO1.
What is the InChIKey of tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is LHJZQXXYLRDXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5/c1-13(2,3)19-11(12(16)20-14(4,5)6)15(17)9-7-8-10-18-15/h11,17H,7-10H2,1-6H3.
What are the key properties of tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 288.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxyoxan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 134997982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).