methyl (4R)-4-ethyl-6-hydroxyhexanoate

C9H18O3 — CID 118890197

IUPACmethyl (4R)-4-ethyl-6-hydroxyhexanoate
SMILESCC[C@@H](CCO)CCC(=O)OC
InChIInChI=1S/C9H18O3/c1-3-8(6-7-10)4-5-9(11)12-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyKIHAVRWQNASEQD-MRVPVSSYSA-N
MW174.24 g/mol
LogP1.35
Rot. Bonds6

About methyl (4R)-4-ethyl-6-hydroxyhexanoate

methyl (4R)-4-ethyl-6-hydroxyhexanoate (PubChem CID 118890197) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl (4R)-4-ethyl-6-hydroxyhexanoate.

Molecular Properties

Compound Namemethyl (4R)-4-ethyl-6-hydroxyhexanoate
PubChem CID118890197
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namemethyl (4R)-4-ethyl-6-hydroxyhexanoate
SMILESCC[C@@H](CCO)CCC(=O)OC
InChIInChI=1S/C9H18O3/c1-3-8(6-7-10)4-5-9(11)12-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyKIHAVRWQNASEQD-MRVPVSSYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 (6S)-6-ethyl-8-hydroxyoctanoate
CID 118889774
methyl 4-(trimethylsilylmethyl)hexanoate
CID 14712721
9-ethyl-12-methoxy-12-oxododecanoic acid
CID 154345459
methyl 4-pentylnonanoate
CID 177137762
methyl (4S)-4-aminohexanoate
CID 130019319
methyl 4-(2-hydroxyethyl)-5,5-dimethylhexanoate
CID 10241957
dimethyl 4-nonylheptanedioate
CID 168749478
methyl (5S)-5-(2-hydroxyethyl)-7,7-dimethyloctanoate
CID 118887519
dimethyl 4-methylheptanedioate
CID 521222
methyl (4S)-5-hydroxy-4-methylpentanoate
CID 162445793
methyl 5,7-dihydroxyheptanoate
CID 123290947
methyl (4R)-4-formylhexanoate
CID 12728710

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-ethyl-6-hydroxyhexanoate?
The IUPAC name of methyl (4R)-4-ethyl-6-hydroxyhexanoate (CID 118890197) is methyl (4R)-4-ethyl-6-hydroxyhexanoate.
What is the SMILES notation for methyl (4R)-4-ethyl-6-hydroxyhexanoate?
The canonical SMILES for methyl (4R)-4-ethyl-6-hydroxyhexanoate is CC[C@@H](CCO)CCC(=O)OC.
What is the InChIKey of methyl (4R)-4-ethyl-6-hydroxyhexanoate?
The InChIKey is KIHAVRWQNASEQD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-8(6-7-10)4-5-9(11)12-2/h8,10H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (4R)-4-ethyl-6-hydroxyhexanoate?
methyl (4R)-4-ethyl-6-hydroxyhexanoate has a molecular weight of 174.24 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-ethyl-6-hydroxyhexanoate is sourced from PubChem (CID 118890197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).