methyl (5S)-5-hydroxyhexanoate

C7H14O3 — CID 13085557

IUPACmethyl (5S)-5-hydroxyhexanoate
SMILESCOC(=O)CCC[C@H](C)O
InChIInChI=1S/C7H14O3/c1-6(8)4-3-5-7(9)10-2/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyKBKUVMOUCKJDBE-LURJTMIESA-N
MW146.19 g/mol
LogP0.71
Rot. Bonds4

About methyl (5S)-5-hydroxyhexanoate

methyl (5S)-5-hydroxyhexanoate (PubChem CID 13085557) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl (5S)-5-hydroxyhexanoate.

Molecular Properties

Compound Namemethyl (5S)-5-hydroxyhexanoate
PubChem CID13085557
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namemethyl (5S)-5-hydroxyhexanoate
SMILESCOC(=O)CCC[C@H](C)O
InChIInChI=1S/C7H14O3/c1-6(8)4-3-5-7(9)10-2/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyKBKUVMOUCKJDBE-LURJTMIESA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (5S)-5-hydroxyhexanoate 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 (5S)-5-hydroxyhexanoate?
The IUPAC name of methyl (5S)-5-hydroxyhexanoate (CID 13085557) is methyl (5S)-5-hydroxyhexanoate.
What is the SMILES notation for methyl (5S)-5-hydroxyhexanoate?
The canonical SMILES for methyl (5S)-5-hydroxyhexanoate is COC(=O)CCC[C@H](C)O.
What is the InChIKey of methyl (5S)-5-hydroxyhexanoate?
The InChIKey is KBKUVMOUCKJDBE-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O3/c1-6(8)4-3-5-7(9)10-2/h6,8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of methyl (5S)-5-hydroxyhexanoate?
methyl (5S)-5-hydroxyhexanoate has a molecular weight of 146.19 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-5-hydroxyhexanoate is sourced from PubChem (CID 13085557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).