tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate

C10H20O4 — CID 83671784

IUPACtert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate
SMILESCC(C)(C)OC(=O)C(CCO)CCO
InChIInChI=1S/C10H20O4/c1-10(2,3)14-9(13)8(4-6-11)5-7-12/h8,11-12H,4-7H2,1-3H3
InChIKeyYMBMRZOYRZLTPS-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.71
Rot. Bonds5

About tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate

tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate (PubChem CID 83671784) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate
PubChem CID83671784
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Nametert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate
SMILESCC(C)(C)OC(=O)C(CCO)CCO
InChIInChI=1S/C10H20O4/c1-10(2,3)14-9(13)8(4-6-11)5-7-12/h8,11-12H,4-7H2,1-3H3
InChIKeyYMBMRZOYRZLTPS-UHFFFAOYSA-N
XLogP0.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate?
The IUPAC name of tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate (CID 83671784) is tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate.
What is the SMILES notation for tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate?
The canonical SMILES for tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate is CC(C)(C)OC(=O)C(CCO)CCO.
What is the InChIKey of tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate?
The InChIKey is YMBMRZOYRZLTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-10(2,3)14-9(13)8(4-6-11)5-7-12/h8,11-12H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate?
tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate has a molecular weight of 204.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2-(2-hydroxyethyl)butanoate is sourced from PubChem (CID 83671784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).