tert-butyl 5-hydroxy-3,3-dimethylpentanoate

C11H22O3 — CID 167741051

IUPACtert-butyl 5-hydroxy-3,3-dimethylpentanoate
SMILESCC(C)(CCO)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H22O3/c1-10(2,3)14-9(13)8-11(4,5)6-7-12/h12H,6-8H2,1-5H3
InChIKeyBNNNIESIUYGXRJ-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.13
Rot. Bonds4

About tert-butyl 5-hydroxy-3,3-dimethylpentanoate

tert-butyl 5-hydroxy-3,3-dimethylpentanoate (PubChem CID 167741051) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is tert-butyl 5-hydroxy-3,3-dimethylpentanoate.

Molecular Properties

Compound Nametert-butyl 5-hydroxy-3,3-dimethylpentanoate
PubChem CID167741051
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nametert-butyl 5-hydroxy-3,3-dimethylpentanoate
SMILESCC(C)(CCO)CC(=O)OC(C)(C)C
InChIInChI=1S/C11H22O3/c1-10(2,3)14-9(13)8-11(4,5)6-7-12/h12H,6-8H2,1-5H3
InChIKeyBNNNIESIUYGXRJ-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-hydroxy-3,3-dimethylpentanoate?
The IUPAC name of tert-butyl 5-hydroxy-3,3-dimethylpentanoate (CID 167741051) is tert-butyl 5-hydroxy-3,3-dimethylpentanoate.
What is the SMILES notation for tert-butyl 5-hydroxy-3,3-dimethylpentanoate?
The canonical SMILES for tert-butyl 5-hydroxy-3,3-dimethylpentanoate is CC(C)(CCO)CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 5-hydroxy-3,3-dimethylpentanoate?
The InChIKey is BNNNIESIUYGXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2,3)14-9(13)8-11(4,5)6-7-12/h12H,6-8H2,1-5H3.
What are the key properties of tert-butyl 5-hydroxy-3,3-dimethylpentanoate?
tert-butyl 5-hydroxy-3,3-dimethylpentanoate has a molecular weight of 202.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-hydroxy-3,3-dimethylpentanoate is sourced from PubChem (CID 167741051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).