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

C8H16O3 — CID 10920813

IUPACmethyl (3R)-3-hydroxy-5-methylhexanoate
SMILESCOC(=O)C[C@H](O)CC(C)C
InChIInChI=1S/C8H16O3/c1-6(2)4-7(9)5-8(10)11-3/h6-7,9H,4-5H2,1-3H3/t7-/m1/s1
InChIKeySFJDGEXPYKDGTD-SSDOTTSWSA-N
MW160.21 g/mol
LogP0.96
Rot. Bonds4

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

methyl (3R)-3-hydroxy-5-methylhexanoate (PubChem CID 10920813) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is methyl (3R)-3-hydroxy-5-methylhexanoate.

Molecular Properties

Compound Namemethyl (3R)-3-hydroxy-5-methylhexanoate
PubChem CID10920813
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namemethyl (3R)-3-hydroxy-5-methylhexanoate
SMILESCOC(=O)C[C@H](O)CC(C)C
InChIInChI=1S/C8H16O3/c1-6(2)4-7(9)5-8(10)11-3/h6-7,9H,4-5H2,1-3H3/t7-/m1/s1
InChIKeySFJDGEXPYKDGTD-SSDOTTSWSA-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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Related Compounds

3-methylbutan-2-yl 3-hydroxy-5-methylhexanoate
CID 137457836
methyl (3R,5R)-3,5-dihydroxy-6-tri(propan-2-yl)silyloxyhexanoate
CID 14760943
methyl (3S,5S)-3,5-dihydroxynonanoate
CID 101496571
azane;methyl 3-methylbutanoate;hydrochloride
CID 175434492
methyl (3R,5S)-3,5-dihydroxyoctadecanoate
CID 102207188
methyl 5-amino-3-hydroxypentanoate
CID 71369778
ethane;methyl 3-(aminomethyl)-5-methylhexanoate
CID 168947065
3-(2-methoxy-2-oxoethyl)-5-methylhexanoate
CID 86625415
methyl 3,4-dimethylpentanoate
CID 554058
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053
dimethyl 3,7-diamino-5-hydroxynonanedioate;dihydrochloride
CID 88760531
ethane;3-hydroxy-N,5-dimethylhexanamide;vanadium
CID 177155626

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-hydroxy-5-methylhexanoate?
The IUPAC name of methyl (3R)-3-hydroxy-5-methylhexanoate (CID 10920813) is methyl (3R)-3-hydroxy-5-methylhexanoate.
What is the SMILES notation for methyl (3R)-3-hydroxy-5-methylhexanoate?
The canonical SMILES for methyl (3R)-3-hydroxy-5-methylhexanoate is COC(=O)C[C@H](O)CC(C)C.
What is the InChIKey of methyl (3R)-3-hydroxy-5-methylhexanoate?
The InChIKey is SFJDGEXPYKDGTD-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(2)4-7(9)5-8(10)11-3/h6-7,9H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of methyl (3R)-3-hydroxy-5-methylhexanoate?
methyl (3R)-3-hydroxy-5-methylhexanoate 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 (3R)-3-hydroxy-5-methylhexanoate is sourced from PubChem (CID 10920813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).