ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate

C11H22O3 — CID 62398199

IUPACethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate
SMILESCCOC(=O)C(C)(C)C(O)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-7-14-9(13)11(5,6)8(12)10(2,3)4/h8,12H,7H2,1-6H3
InChIKeyIDGMXZDBBYJRPU-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.98
Rot. Bonds3

About ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate

ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate (PubChem CID 62398199) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate
PubChem CID62398199
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Nameethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate
SMILESCCOC(=O)C(C)(C)C(O)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-7-14-9(13)11(5,6)8(12)10(2,3)4/h8,12H,7H2,1-6H3
InChIKeyIDGMXZDBBYJRPU-UHFFFAOYSA-N
XLogP1.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate?
The IUPAC name of ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate (CID 62398199) is ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate.
What is the SMILES notation for ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate?
The canonical SMILES for ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate is CCOC(=O)C(C)(C)C(O)C(C)(C)C.
What is the InChIKey of ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate?
The InChIKey is IDGMXZDBBYJRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-7-14-9(13)11(5,6)8(12)10(2,3)4/h8,12H,7H2,1-6H3.
What are the key properties of ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate?
ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate has a molecular weight of 202.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2,2,4,4-tetramethylpentanoate is sourced from PubChem (CID 62398199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).