methyl 5-hydroxy-2,2-dimethylpentanoate

C8H16O3 — CID 59961930

IUPACmethyl 5-hydroxy-2,2-dimethylpentanoate
SMILESCOC(=O)C(C)(C)CCCO
InChIInChI=1S/C8H16O3/c1-8(2,5-4-6-9)7(10)11-3/h9H,4-6H2,1-3H3
InChIKeyYIUJOEQFCBEWNL-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.96
Rot. Bonds4

About methyl 5-hydroxy-2,2-dimethylpentanoate

methyl 5-hydroxy-2,2-dimethylpentanoate (PubChem CID 59961930) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is methyl 5-hydroxy-2,2-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 5-hydroxy-2,2-dimethylpentanoate
PubChem CID59961930
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namemethyl 5-hydroxy-2,2-dimethylpentanoate
SMILESCOC(=O)C(C)(C)CCCO
InChIInChI=1S/C8H16O3/c1-8(2,5-4-6-9)7(10)11-3/h9H,4-6H2,1-3H3
InChIKeyYIUJOEQFCBEWNL-UHFFFAOYSA-N
XLogP0.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-2,2-dimethylpentanoate?
The IUPAC name of methyl 5-hydroxy-2,2-dimethylpentanoate (CID 59961930) is methyl 5-hydroxy-2,2-dimethylpentanoate.
What is the SMILES notation for methyl 5-hydroxy-2,2-dimethylpentanoate?
The canonical SMILES for methyl 5-hydroxy-2,2-dimethylpentanoate is COC(=O)C(C)(C)CCCO.
What is the InChIKey of methyl 5-hydroxy-2,2-dimethylpentanoate?
The InChIKey is YIUJOEQFCBEWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-8(2,5-4-6-9)7(10)11-3/h9H,4-6H2,1-3H3.
What are the key properties of methyl 5-hydroxy-2,2-dimethylpentanoate?
methyl 5-hydroxy-2,2-dimethylpentanoate has a molecular weight of 160.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-2,2-dimethylpentanoate is sourced from PubChem (CID 59961930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).