methyl (4R)-6-methoxy-4-methylhexanoate

C9H18O3 — CID 10931927

IUPACmethyl (4R)-6-methoxy-4-methylhexanoate
SMILESCOCC[C@H](C)CCC(=O)OC
InChIInChI=1S/C9H18O3/c1-8(6-7-11-2)4-5-9(10)12-3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyCOHAFKKJSUAMMO-MRVPVSSYSA-N
MW174.24 g/mol
LogP1.61
Rot. Bonds6

About methyl (4R)-6-methoxy-4-methylhexanoate

methyl (4R)-6-methoxy-4-methylhexanoate (PubChem CID 10931927) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl (4R)-6-methoxy-4-methylhexanoate.

Molecular Properties

Compound Namemethyl (4R)-6-methoxy-4-methylhexanoate
PubChem CID10931927
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namemethyl (4R)-6-methoxy-4-methylhexanoate
SMILESCOCC[C@H](C)CCC(=O)OC
InChIInChI=1S/C9H18O3/c1-8(6-7-11-2)4-5-9(10)12-3/h8H,4-7H2,1-3H3/t8-/m1/s1
InChIKeyCOHAFKKJSUAMMO-MRVPVSSYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 4-methylheptanedioate
CID 521222
dimethyl 4,9-dimethyldodecanedioate
CID 102494316
methyl (4S)-5-hydroxy-4-methylpentanoate
CID 162445793
dimethyl 4-methyltetradecanedioate
CID 87116988
methyl (4S)-4,13-dimethyltetradecanoate
CID 169491618
methyl 4,11-dimethyldodecanoate
CID 139586473
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
(3-methoxy-3-oxopropyl)-trimethylphosphanium
CID 87216267
bis(4-methoxy-2-methylbutyl) butanedioate
CID 91701480
methyl 4-methyl-6-oxohexanoate
CID 24976623
azane;methyl 4-methylhexadecanoate
CID 174610409
methyl (5R)-5-methyl-8-oxononanoate
CID 56834727

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-6-methoxy-4-methylhexanoate?
The IUPAC name of methyl (4R)-6-methoxy-4-methylhexanoate (CID 10931927) is methyl (4R)-6-methoxy-4-methylhexanoate.
What is the SMILES notation for methyl (4R)-6-methoxy-4-methylhexanoate?
The canonical SMILES for methyl (4R)-6-methoxy-4-methylhexanoate is COCC[C@H](C)CCC(=O)OC.
What is the InChIKey of methyl (4R)-6-methoxy-4-methylhexanoate?
The InChIKey is COHAFKKJSUAMMO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O3/c1-8(6-7-11-2)4-5-9(10)12-3/h8H,4-7H2,1-3H3/t8-/m1/s1.
What are the key properties of methyl (4R)-6-methoxy-4-methylhexanoate?
methyl (4R)-6-methoxy-4-methylhexanoate has a molecular weight of 174.24 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-6-methoxy-4-methylhexanoate is sourced from PubChem (CID 10931927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).