5-hydroxypentyl 5-methoxyhexanoate

C12H24O4 — CID 23189814

IUPAC5-hydroxypentyl 5-methoxyhexanoate
SMILESCOC(C)CCCC(=O)OCCCCCO
InChIInChI=1S/C12H24O4/c1-11(15-2)7-6-8-12(14)16-10-5-3-4-9-13/h11,13H,3-10H2,1-2H3
InChIKeyRCJLEANBLLINML-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.90
Rot. Bonds10

About 5-hydroxypentyl 5-methoxyhexanoate

5-hydroxypentyl 5-methoxyhexanoate (PubChem CID 23189814) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5-hydroxypentyl 5-methoxyhexanoate.

Molecular Properties

Compound Name5-hydroxypentyl 5-methoxyhexanoate
PubChem CID23189814
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name5-hydroxypentyl 5-methoxyhexanoate
SMILESCOC(C)CCCC(=O)OCCCCCO
InChIInChI=1S/C12H24O4/c1-11(15-2)7-6-8-12(14)16-10-5-3-4-9-13/h11,13H,3-10H2,1-2H3
InChIKeyRCJLEANBLLINML-UHFFFAOYSA-N
XLogP1.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of 5-hydroxypentyl 5-methoxyhexanoate?
The IUPAC name of 5-hydroxypentyl 5-methoxyhexanoate (CID 23189814) is 5-hydroxypentyl 5-methoxyhexanoate.
What is the SMILES notation for 5-hydroxypentyl 5-methoxyhexanoate?
The canonical SMILES for 5-hydroxypentyl 5-methoxyhexanoate is COC(C)CCCC(=O)OCCCCCO.
What is the InChIKey of 5-hydroxypentyl 5-methoxyhexanoate?
The InChIKey is RCJLEANBLLINML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-11(15-2)7-6-8-12(14)16-10-5-3-4-9-13/h11,13H,3-10H2,1-2H3.
What are the key properties of 5-hydroxypentyl 5-methoxyhexanoate?
5-hydroxypentyl 5-methoxyhexanoate has a molecular weight of 232.32 g/mol, XLogP of 1.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentyl 5-methoxyhexanoate is sourced from PubChem (CID 23189814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).