methyl (4S)-5-hydroxy-4-methylpentanoate

C7H14O3 — CID 162445793

IUPACmethyl (4S)-5-hydroxy-4-methylpentanoate
SMILESCOC(=O)CC[C@H](C)CO
InChIInChI=1S/C7H14O3/c1-6(5-8)3-4-7(9)10-2/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyVHPQBFVAZMJOBV-LURJTMIESA-N
MW146.19 g/mol
LogP0.57
Rot. Bonds4

About methyl (4S)-5-hydroxy-4-methylpentanoate

methyl (4S)-5-hydroxy-4-methylpentanoate (PubChem CID 162445793) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl (4S)-5-hydroxy-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (4S)-5-hydroxy-4-methylpentanoate
PubChem CID162445793
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Namemethyl (4S)-5-hydroxy-4-methylpentanoate
SMILESCOC(=O)CC[C@H](C)CO
InChIInChI=1S/C7H14O3/c1-6(5-8)3-4-7(9)10-2/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyVHPQBFVAZMJOBV-LURJTMIESA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 4-methylheptanedioate
CID 521222
dimethyl 4,9-dimethyldodecanedioate
CID 102494316
methyl (4R)-6-methoxy-4-methylhexanoate
CID 10931927
(3-methoxy-3-oxopropyl)-trimethylphosphanium
CID 87216267
methyl (4R,6S,7S,8R)-7,9-dihydroxy-4,6,8-trimethylnonanoate
CID 11736724
dimethyl 4-methyltetradecanedioate
CID 87116988
methyl 4-methyl-6-oxohexanoate
CID 24976623
methyl (4S)-4,13-dimethyltetradecanoate
CID 169491618
methyl 4,11-dimethyldodecanoate
CID 139586473
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
methyl 4-(1-hydroxypropan-2-yl)-5,5-dimethylhexanoate
CID 174747594
azane;methyl 4-methylhexadecanoate
CID 174610409

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-5-hydroxy-4-methylpentanoate?
The IUPAC name of methyl (4S)-5-hydroxy-4-methylpentanoate (CID 162445793) is methyl (4S)-5-hydroxy-4-methylpentanoate.
What is the SMILES notation for methyl (4S)-5-hydroxy-4-methylpentanoate?
The canonical SMILES for methyl (4S)-5-hydroxy-4-methylpentanoate is COC(=O)CC[C@H](C)CO.
What is the InChIKey of methyl (4S)-5-hydroxy-4-methylpentanoate?
The InChIKey is VHPQBFVAZMJOBV-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O3/c1-6(5-8)3-4-7(9)10-2/h6,8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of methyl (4S)-5-hydroxy-4-methylpentanoate?
methyl (4S)-5-hydroxy-4-methylpentanoate has a molecular weight of 146.19 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-5-hydroxy-4-methylpentanoate is sourced from PubChem (CID 162445793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).