methyl 5-hydroxyoctanoate

C9H18O3 — CID 71332674

IUPACmethyl 5-hydroxyoctanoate
SMILESCCCC(O)CCCC(=O)OC
InChIInChI=1S/C9H18O3/c1-3-5-8(10)6-4-7-9(11)12-2/h8,10H,3-7H2,1-2H3
InChIKeyXMQPWFCBPDENRU-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.49
Rot. Bonds6

About methyl 5-hydroxyoctanoate

methyl 5-hydroxyoctanoate (PubChem CID 71332674) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl 5-hydroxyoctanoate.

Molecular Properties

Compound Namemethyl 5-hydroxyoctanoate
PubChem CID71332674
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Namemethyl 5-hydroxyoctanoate
SMILESCCCC(O)CCCC(=O)OC
InChIInChI=1S/C9H18O3/c1-3-5-8(10)6-4-7-9(11)12-2/h8,10H,3-7H2,1-2H3
InChIKeyXMQPWFCBPDENRU-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxyoctanoate?
The IUPAC name of methyl 5-hydroxyoctanoate (CID 71332674) is methyl 5-hydroxyoctanoate.
What is the SMILES notation for methyl 5-hydroxyoctanoate?
The canonical SMILES for methyl 5-hydroxyoctanoate is CCCC(O)CCCC(=O)OC.
What is the InChIKey of methyl 5-hydroxyoctanoate?
The InChIKey is XMQPWFCBPDENRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-5-8(10)6-4-7-9(11)12-2/h8,10H,3-7H2,1-2H3.
What are the key properties of methyl 5-hydroxyoctanoate?
methyl 5-hydroxyoctanoate has a molecular weight of 174.24 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxyoctanoate is sourced from PubChem (CID 71332674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).