methyl (3R)-5-hydroxy-3-methylpentanoate

C7H14O3 — CID 10558755

IUPACmethyl (3R)-5-hydroxy-3-methylpentanoate
SMILESCOC(=O)C[C@H](C)CCO
InChIInChI=1S/C7H14O3/c1-6(3-4-8)5-7(9)10-2/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyGQPZIAXJWPLEEX-ZCFIWIBFSA-N
MW146.19 g/mol
LogP0.57
Rot. Bonds4

About methyl (3R)-5-hydroxy-3-methylpentanoate

methyl (3R)-5-hydroxy-3-methylpentanoate (PubChem CID 10558755) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl (3R)-5-hydroxy-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (3R)-5-hydroxy-3-methylpentanoate
PubChem CID10558755
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namemethyl (3R)-5-hydroxy-3-methylpentanoate
SMILESCOC(=O)C[C@H](C)CCO
InChIInChI=1S/C7H14O3/c1-6(3-4-8)5-7(9)10-2/h6,8H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyGQPZIAXJWPLEEX-ZCFIWIBFSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-5-hydroxy-3-methylpentanoate?
The IUPAC name of methyl (3R)-5-hydroxy-3-methylpentanoate (CID 10558755) is methyl (3R)-5-hydroxy-3-methylpentanoate.
What is the SMILES notation for methyl (3R)-5-hydroxy-3-methylpentanoate?
The canonical SMILES for methyl (3R)-5-hydroxy-3-methylpentanoate is COC(=O)C[C@H](C)CCO.
What is the InChIKey of methyl (3R)-5-hydroxy-3-methylpentanoate?
The InChIKey is GQPZIAXJWPLEEX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(3-4-8)5-7(9)10-2/h6,8H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of methyl (3R)-5-hydroxy-3-methylpentanoate?
methyl (3R)-5-hydroxy-3-methylpentanoate has a molecular weight of 146.19 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-5-hydroxy-3-methylpentanoate is sourced from PubChem (CID 10558755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).