propan-2-yl (3R)-2-hydroxy-3-methylpentanoate

C9H18O3 — CID 174795059

IUPACpropan-2-yl (3R)-2-hydroxy-3-methylpentanoate
SMILESCC[C@@H](C)C(O)C(=O)OC(C)C
InChIInChI=1S/C9H18O3/c1-5-7(4)8(10)9(11)12-6(2)3/h6-8,10H,5H2,1-4H3/t7-,8?/m1/s1
InChIKeyKVCQHDQZQJQGHR-GVHYBUMESA-N
MW174.24 g/mol
LogP1.35
Rot. Bonds4

About propan-2-yl (3R)-2-hydroxy-3-methylpentanoate

propan-2-yl (3R)-2-hydroxy-3-methylpentanoate (PubChem CID 174795059) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is propan-2-yl (3R)-2-hydroxy-3-methylpentanoate.

Molecular Properties

Compound Namepropan-2-yl (3R)-2-hydroxy-3-methylpentanoate
PubChem CID174795059
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namepropan-2-yl (3R)-2-hydroxy-3-methylpentanoate
SMILESCC[C@@H](C)C(O)C(=O)OC(C)C
InChIInChI=1S/C9H18O3/c1-5-7(4)8(10)9(11)12-6(2)3/h6-8,10H,5H2,1-4H3/t7-,8?/m1/s1
InChIKeyKVCQHDQZQJQGHR-GVHYBUMESA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
propan-2-yl (2S)-2-hydroxy-3-methylbutanoate
CID 87171690
2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid
CID 57022822
silyl 2-hydroxy-3-methylpentanoate
CID 174467796
propan-2-yl 2-(ethoxymethyl)-3-methylpentanoate
CID 139783105
magnesium;3-hydroxy-1,4-dioxo-1,4-di(propan-2-yloxy)butan-2-olate;bromide
CID 102020589
[(2S,3S)-3-methyl-1-[(2S,3S)-3-methyl-1-oxo-1-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]pentan-2-yl]oxy-1-oxopentan-2-yl] (2R,3S)-2-hydroxy-3-methylpentanoate
CID 51693641
[(2S,3S)-3-methyl-1-[(2S,3S)-3-methyl-1-oxo-1-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexoxy]pentan-2-yl]oxy-1-oxopentan-2-yl] (2S,3S)-2-hydroxy-3-methylpentanoate
CID 38356700
[3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5-tetrahydroxypentoxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoate
CID 146115920
[(2S,3S)-3-methyl-1-[(2S,3S)-3-methyl-1-[(2S,3R)-3-methyl-1-oxo-1-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] (2S,3S)-2-hydroxy-3-methylpentanoate
CID 124826410
dipropan-2-yl 2-hydroxy-3-(2-methylprop-2-enyl)butanedioate
CID 85446545

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3R)-2-hydroxy-3-methylpentanoate?
The IUPAC name of propan-2-yl (3R)-2-hydroxy-3-methylpentanoate (CID 174795059) is propan-2-yl (3R)-2-hydroxy-3-methylpentanoate.
What is the SMILES notation for propan-2-yl (3R)-2-hydroxy-3-methylpentanoate?
The canonical SMILES for propan-2-yl (3R)-2-hydroxy-3-methylpentanoate is CC[C@@H](C)C(O)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (3R)-2-hydroxy-3-methylpentanoate?
The InChIKey is KVCQHDQZQJQGHR-GVHYBUMESA-N. The full InChI is InChI=1S/C9H18O3/c1-5-7(4)8(10)9(11)12-6(2)3/h6-8,10H,5H2,1-4H3/t7-,8?/m1/s1.
What are the key properties of propan-2-yl (3R)-2-hydroxy-3-methylpentanoate?
propan-2-yl (3R)-2-hydroxy-3-methylpentanoate has a molecular weight of 174.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3R)-2-hydroxy-3-methylpentanoate is sourced from PubChem (CID 174795059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).