methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate

C10H20O3 — CID 100975310

IUPACmethyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate
SMILESCOC(=O)[C@H](C)CCC(C)(C)CO
InChIInChI=1S/C10H20O3/c1-8(9(12)13-4)5-6-10(2,3)7-11/h8,11H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyJIMPADXJOBWYLI-MRVPVSSYSA-N
MW188.27 g/mol
LogP1.59
Rot. Bonds5

About methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate

methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate (PubChem CID 100975310) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate.

Molecular Properties

Compound Namemethyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate
PubChem CID100975310
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namemethyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate
SMILESCOC(=O)[C@H](C)CCC(C)(C)CO
InChIInChI=1S/C10H20O3/c1-8(9(12)13-4)5-6-10(2,3)7-11/h8,11H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyJIMPADXJOBWYLI-MRVPVSSYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-iodo-2-methylbutanoate
CID 71420285
methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
methyl (2S)-5-amino-2-methylpentanoate
CID 88555940
methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800
methyl (2S)-2,6-dimethylheptanoate
CID 54536148
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
6-hydroxy-2,5,5-trimethylhexanal
CID 57206328
methyl (2S)-2,13-dimethyltetradecanoate
CID 169492700
10-methoxy-2,2,10-trimethylundecane-1,6-diol
CID 88879135
ethyl 5-methoxy-2,5-dimethylhexanoate
CID 154290351
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate?
The IUPAC name of methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate (CID 100975310) is methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate.
What is the SMILES notation for methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate?
The canonical SMILES for methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate is COC(=O)[C@H](C)CCC(C)(C)CO.
What is the InChIKey of methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate?
The InChIKey is JIMPADXJOBWYLI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(9(12)13-4)5-6-10(2,3)7-11/h8,11H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate?
methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate has a molecular weight of 188.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-6-hydroxy-2,5,5-trimethylhexanoate is sourced from PubChem (CID 100975310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).