methyl 8-ethoxy-4-hydroxyoctanoate

C11H22O4 — CID 138564422

IUPACmethyl 8-ethoxy-4-hydroxyoctanoate
SMILESCCOCCCCC(O)CCC(=O)OC
InChIInChI=1S/C11H22O4/c1-3-15-9-5-4-6-10(12)7-8-11(13)14-2/h10,12H,3-9H2,1-2H3
InChIKeyLPEXXMDVVKIANK-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.51
Rot. Bonds9

About methyl 8-ethoxy-4-hydroxyoctanoate

methyl 8-ethoxy-4-hydroxyoctanoate (PubChem CID 138564422) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is methyl 8-ethoxy-4-hydroxyoctanoate.

Molecular Properties

Compound Namemethyl 8-ethoxy-4-hydroxyoctanoate
PubChem CID138564422
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Namemethyl 8-ethoxy-4-hydroxyoctanoate
SMILESCCOCCCCC(O)CCC(=O)OC
InChIInChI=1S/C11H22O4/c1-3-15-9-5-4-6-10(12)7-8-11(13)14-2/h10,12H,3-9H2,1-2H3
InChIKeyLPEXXMDVVKIANK-UHFFFAOYSA-N
XLogP1.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-hydroxyoctadecanoate
CID 559005
methyl 4,8-dihydroxyoctanoate
CID 174750860
(2R)-2-(4-ethoxybutanoylamino)-5-methoxy-5-oxopentanoic acid
CID 107820770
methyl (9R)-9-hydroxydocosanoate
CID 134814034
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478
14-ethoxytetradecane-1,3-diol
CID 57222760
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282
methyl (6R)-6,8-dihydroxyoctanoate
CID 10442514
1-O-ethyl 8-O-methyl (3R)-3-hydroxyoctanedioate
CID 54453835
2-(11-ethoxy-6-hydroxyundecoxy)acetaldehyde
CID 175620822

Frequently Asked Questions

What is the IUPAC name of methyl 8-ethoxy-4-hydroxyoctanoate?
The IUPAC name of methyl 8-ethoxy-4-hydroxyoctanoate (CID 138564422) is methyl 8-ethoxy-4-hydroxyoctanoate.
What is the SMILES notation for methyl 8-ethoxy-4-hydroxyoctanoate?
The canonical SMILES for methyl 8-ethoxy-4-hydroxyoctanoate is CCOCCCCC(O)CCC(=O)OC.
What is the InChIKey of methyl 8-ethoxy-4-hydroxyoctanoate?
The InChIKey is LPEXXMDVVKIANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-15-9-5-4-6-10(12)7-8-11(13)14-2/h10,12H,3-9H2,1-2H3.
What are the key properties of methyl 8-ethoxy-4-hydroxyoctanoate?
methyl 8-ethoxy-4-hydroxyoctanoate has a molecular weight of 218.29 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-ethoxy-4-hydroxyoctanoate is sourced from PubChem (CID 138564422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).