6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate

C14H26O6 — CID 170088315

IUPAC6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate
SMILESCOCCCCCC(=O)OCOC(=O)CCCCCO
InChIInChI=1S/C14H26O6/c1-18-11-7-3-5-9-14(17)20-12-19-13(16)8-4-2-6-10-15/h15H,2-12H2,1H3
InChIKeyCMFSWMFPHKQDIJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.79
Rot. Bonds13

About 6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate

6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate (PubChem CID 170088315) has the molecular formula C14H26O6 and a molecular weight of 290.36 g/mol. Its IUPAC name is 6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate.

Molecular Properties

Compound Name6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate
PubChem CID170088315
Molecular FormulaC14H26O6
Molecular Weight290.36 g/mol
Exact Mass290.17
IUPAC Name6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate
SMILESCOCCCCCC(=O)OCOC(=O)CCCCCO
InChIInChI=1S/C14H26O6/c1-18-11-7-3-5-9-14(17)20-12-19-13(16)8-4-2-6-10-15/h15H,2-12H2,1H3
InChIKeyCMFSWMFPHKQDIJ-UHFFFAOYSA-N
XLogP1.79
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl 18-hydroxyoctadecanoate
CID 54055898
2-methoxyethyl 5-methoxypentanoate
CID 58454735
bis(10-hydroxydecyl) tetradecanedioate
CID 171852033
bis(7-hydroxyheptyl) icosanedioate
CID 91383667
bis(4-hydroxybutyl) octanedioate
CID 58519863
6-methoxyhexanoyloxymethyl 7,7-dimethyloctanoate
CID 59391824
methane;molecular iodine;propanoyloxymethyl 6-methoxyhexanoate
CID 158517269
6-(6-hydroxyhexanoyloxy)hexyl 6-hydroxyhexanoate;methane
CID 158211085
ethyl 5-methoxypentanoate
CID 21476247
12-methoxydodecanoyl 12-methoxydodecanoate
CID 57114790
12-hydroxydodecyl dodecanoate
CID 23320424
31-hydroxyhentriacontyl dodecanoate
CID 166097629

Frequently Asked Questions

What is the IUPAC name of 6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate?
The IUPAC name of 6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate (CID 170088315) is 6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate.
What is the SMILES notation for 6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate?
The canonical SMILES for 6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate is COCCCCCC(=O)OCOC(=O)CCCCCO.
What is the InChIKey of 6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate?
The InChIKey is CMFSWMFPHKQDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O6/c1-18-11-7-3-5-9-14(17)20-12-19-13(16)8-4-2-6-10-15/h15H,2-12H2,1H3.
What are the key properties of 6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate?
6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate has a molecular weight of 290.36 g/mol, XLogP of 1.79, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyhexanoyloxymethyl 6-hydroxyhexanoate is sourced from PubChem (CID 170088315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).