methyl (6R)-6,8-dihydroxyoctanoate

C9H18O4 — CID 10442514

IUPACmethyl (6R)-6,8-dihydroxyoctanoate
SMILESCOC(=O)CCCC[C@@H](O)CCO
InChIInChI=1S/C9H18O4/c1-13-9(12)5-3-2-4-8(11)6-7-10/h8,10-11H,2-7H2,1H3/t8-/m1/s1
InChIKeyCRUBJJQTENRFEL-MRVPVSSYSA-N
MW190.24 g/mol
LogP0.46
Rot. Bonds7

About methyl (6R)-6,8-dihydroxyoctanoate

methyl (6R)-6,8-dihydroxyoctanoate (PubChem CID 10442514) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is methyl (6R)-6,8-dihydroxyoctanoate.

Molecular Properties

Compound Namemethyl (6R)-6,8-dihydroxyoctanoate
PubChem CID10442514
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Namemethyl (6R)-6,8-dihydroxyoctanoate
SMILESCOC(=O)CCCC[C@@H](O)CCO
InChIInChI=1S/C9H18O4/c1-13-9(12)5-3-2-4-8(11)6-7-10/h8,10-11H,2-7H2,1H3/t8-/m1/s1
InChIKeyCRUBJJQTENRFEL-MRVPVSSYSA-N
XLogP0.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5,7-dihydroxyheptanoate
CID 123290947
methyl 10,18-dihydroxyoctadecanoate
CID 129219404
methyl (9S)-9,16-dihydroxyhexadecanoate
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methyl 4,8-dihydroxyoctanoate
CID 174750860
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl (9R)-9-hydroxydocosanoate
CID 134814034
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282
methyl (9R,10R)-9,10,16-trihydroxyhexadecanoate
CID 10687049
methyl 13-hydroxy-14-methoxytetradecanoate
CID 154249290
methyl 11-bromo-10-hydroxyundecanoate
CID 13032690

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6,8-dihydroxyoctanoate?
The IUPAC name of methyl (6R)-6,8-dihydroxyoctanoate (CID 10442514) is methyl (6R)-6,8-dihydroxyoctanoate.
What is the SMILES notation for methyl (6R)-6,8-dihydroxyoctanoate?
The canonical SMILES for methyl (6R)-6,8-dihydroxyoctanoate is COC(=O)CCCC[C@@H](O)CCO.
What is the InChIKey of methyl (6R)-6,8-dihydroxyoctanoate?
The InChIKey is CRUBJJQTENRFEL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O4/c1-13-9(12)5-3-2-4-8(11)6-7-10/h8,10-11H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of methyl (6R)-6,8-dihydroxyoctanoate?
methyl (6R)-6,8-dihydroxyoctanoate has a molecular weight of 190.24 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6,8-dihydroxyoctanoate is sourced from PubChem (CID 10442514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).