methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate

C8H16O3 — CID 88576332

IUPACmethyl (2R)-2-(hydroxymethyl)-4-methylpentanoate
SMILESCOC(=O)[C@@H](CO)CC(C)C
InChIInChI=1S/C8H16O3/c1-6(2)4-7(5-9)8(10)11-3/h6-7,9H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyIMPIFZVYBPRZBZ-SSDOTTSWSA-N
MW160.21 g/mol
LogP0.81
Rot. Bonds4

About methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate

methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate (PubChem CID 88576332) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(hydroxymethyl)-4-methylpentanoate
PubChem CID88576332
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Namemethyl (2R)-2-(hydroxymethyl)-4-methylpentanoate
SMILESCOC(=O)[C@@H](CO)CC(C)C
InChIInChI=1S/C8H16O3/c1-6(2)4-7(5-9)8(10)11-3/h6-7,9H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyIMPIFZVYBPRZBZ-SSDOTTSWSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(hydroxymethyl)-4-methylpentanoate
CID 86048935
methyl 2-(hydroxymethyl)-4,4-dimethylpentanoate
CID 86048899
methyl 2-(hydroxymethyl)-5,6-dimethyl-4-oxoheptanoate
CID 58443544
methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-4-methylpentanoate
CID 159698118
methyl 4-[(2-ethyl-4-methylpentanoyl)amino]-2-methylbutanoate
CID 21364483
methyl 2-ethylbutanoate;yttrium
CID 155577216
methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate
CID 117242247
methyl 2-(hydroxymethyl)-3-methylbutanoate
CID 11062523
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate
CID 43723692
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate (CID 88576332) is methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate is COC(=O)[C@@H](CO)CC(C)C.
What is the InChIKey of methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate?
The InChIKey is IMPIFZVYBPRZBZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(2)4-7(5-9)8(10)11-3/h6-7,9H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate?
methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate has a molecular weight of 160.21 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(hydroxymethyl)-4-methylpentanoate is sourced from PubChem (CID 88576332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).