methyl 3-hydroxy-3-methylpentanoate

C7H14O3 — CID 13180715

IUPACmethyl 3-hydroxy-3-methylpentanoate
SMILESCCC(C)(O)CC(=O)OC
InChIInChI=1S/C7H14O3/c1-4-7(2,9)5-6(8)10-3/h9H,4-5H2,1-3H3
InChIKeyUDWYINMRIFIIGL-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.71
Rot. Bonds3

About methyl 3-hydroxy-3-methylpentanoate

methyl 3-hydroxy-3-methylpentanoate (PubChem CID 13180715) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl 3-hydroxy-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-3-methylpentanoate
PubChem CID13180715
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namemethyl 3-hydroxy-3-methylpentanoate
SMILESCCC(C)(O)CC(=O)OC
InChIInChI=1S/C7H14O3/c1-4-7(2,9)5-6(8)10-3/h9H,4-5H2,1-3H3
InChIKeyUDWYINMRIFIIGL-UHFFFAOYSA-N
XLogP0.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-hydroxy-3-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-3-methylpentanoate?
The IUPAC name of methyl 3-hydroxy-3-methylpentanoate (CID 13180715) is methyl 3-hydroxy-3-methylpentanoate.
What is the SMILES notation for methyl 3-hydroxy-3-methylpentanoate?
The canonical SMILES for methyl 3-hydroxy-3-methylpentanoate is CCC(C)(O)CC(=O)OC.
What is the InChIKey of methyl 3-hydroxy-3-methylpentanoate?
The InChIKey is UDWYINMRIFIIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-4-7(2,9)5-6(8)10-3/h9H,4-5H2,1-3H3.
What are the key properties of methyl 3-hydroxy-3-methylpentanoate?
methyl 3-hydroxy-3-methylpentanoate has a molecular weight of 146.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-3-methylpentanoate is sourced from PubChem (CID 13180715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).