methyl 5,7-dihydroxyheptanoate

C8H16O4 — CID 123290947

IUPACmethyl 5,7-dihydroxyheptanoate
SMILESCOC(=O)CCCC(O)CCO
InChIInChI=1S/C8H16O4/c1-12-8(11)4-2-3-7(10)5-6-9/h7,9-10H,2-6H2,1H3
InChIKeyZVOSIUMURBVQMZ-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.07
Rot. Bonds6

About methyl 5,7-dihydroxyheptanoate

methyl 5,7-dihydroxyheptanoate (PubChem CID 123290947) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is methyl 5,7-dihydroxyheptanoate.

Molecular Properties

Compound Namemethyl 5,7-dihydroxyheptanoate
PubChem CID123290947
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Namemethyl 5,7-dihydroxyheptanoate
SMILESCOC(=O)CCCC(O)CCO
InChIInChI=1S/C8H16O4/c1-12-8(11)4-2-3-7(10)5-6-9/h7,9-10H,2-6H2,1H3
InChIKeyZVOSIUMURBVQMZ-UHFFFAOYSA-N
XLogP0.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (6R)-6,8-dihydroxyoctanoate
CID 10442514
methyl 10,18-dihydroxyoctadecanoate
CID 129219404
methyl (9S)-9,16-dihydroxyhexadecanoate
CID 162875043
methyl 4,8-dihydroxyoctanoate
CID 174750860
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl (9R)-9-hydroxydocosanoate
CID 134814034
methyl 5,7-dihydroxynonanoate
CID 143918618
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282
dimethyl 2-hydroxyhexanedioate
CID 13448463
methyl (9R,10R)-9,10,16-trihydroxyhexadecanoate
CID 10687049

Frequently Asked Questions

What is the IUPAC name of methyl 5,7-dihydroxyheptanoate?
The IUPAC name of methyl 5,7-dihydroxyheptanoate (CID 123290947) is methyl 5,7-dihydroxyheptanoate.
What is the SMILES notation for methyl 5,7-dihydroxyheptanoate?
The canonical SMILES for methyl 5,7-dihydroxyheptanoate is COC(=O)CCCC(O)CCO.
What is the InChIKey of methyl 5,7-dihydroxyheptanoate?
The InChIKey is ZVOSIUMURBVQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-12-8(11)4-2-3-7(10)5-6-9/h7,9-10H,2-6H2,1H3.
What are the key properties of methyl 5,7-dihydroxyheptanoate?
methyl 5,7-dihydroxyheptanoate has a molecular weight of 176.21 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,7-dihydroxyheptanoate is sourced from PubChem (CID 123290947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).