methyl (2R)-4-hydroxy-2-methylheptanoate

C9H18O3 — CID 174362500

IUPACmethyl (2R)-4-hydroxy-2-methylheptanoate
SMILESCCCC(O)C[C@@H](C)C(=O)OC
InChIInChI=1S/C9H18O3/c1-4-5-8(10)6-7(2)9(11)12-3/h7-8,10H,4-6H2,1-3H3/t7-,8?/m1/s1
InChIKeyLYSQYOILLAXORN-GVHYBUMESA-N
MW174.24 g/mol
LogP1.35
Rot. Bonds5

About methyl (2R)-4-hydroxy-2-methylheptanoate

methyl (2R)-4-hydroxy-2-methylheptanoate (PubChem CID 174362500) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl (2R)-4-hydroxy-2-methylheptanoate.

Molecular Properties

Compound Namemethyl (2R)-4-hydroxy-2-methylheptanoate
PubChem CID174362500
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namemethyl (2R)-4-hydroxy-2-methylheptanoate
SMILESCCCC(O)C[C@@H](C)C(=O)OC
InChIInChI=1S/C9H18O3/c1-4-5-8(10)6-7(2)9(11)12-3/h7-8,10H,4-6H2,1-3H3/t7-,8?/m1/s1
InChIKeyLYSQYOILLAXORN-GVHYBUMESA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 2,4,8-trimethylundecanoate
CID 560442
methyl (2R,4S)-2,4-dimethylnonanoate
CID 163049093
heptane-2,4-diol
CID 161420509
methyl 2-hydroxypentanoate
CID 543619
methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
methyl 6-hydroxy-2,4-dimethylheptanoate
CID 85176475
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
methyl (2R,3R)-3-hydroxy-2-methylhexanoate
CID 12755434
methyl 2,6,10-trimethyltridecanoate
CID 560276
CID 58391087
CID 58391087
methyl (2R)-2-methyltetradecanoate
CID 163045577
methyl (2R)-2-methylnonanoate
CID 12525305

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-hydroxy-2-methylheptanoate?
The IUPAC name of methyl (2R)-4-hydroxy-2-methylheptanoate (CID 174362500) is methyl (2R)-4-hydroxy-2-methylheptanoate.
What is the SMILES notation for methyl (2R)-4-hydroxy-2-methylheptanoate?
The canonical SMILES for methyl (2R)-4-hydroxy-2-methylheptanoate is CCCC(O)C[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-4-hydroxy-2-methylheptanoate?
The InChIKey is LYSQYOILLAXORN-GVHYBUMESA-N. The full InChI is InChI=1S/C9H18O3/c1-4-5-8(10)6-7(2)9(11)12-3/h7-8,10H,4-6H2,1-3H3/t7-,8?/m1/s1.
What are the key properties of methyl (2R)-4-hydroxy-2-methylheptanoate?
methyl (2R)-4-hydroxy-2-methylheptanoate has a molecular weight of 174.24 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-hydroxy-2-methylheptanoate is sourced from PubChem (CID 174362500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).