5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate

C17H32O5 — CID 91706348

IUPAC5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate
SMILESCCCCC(CCOC)COC(=O)CCCC(=O)OCCC
InChIInChI=1S/C17H32O5/c1-4-6-8-15(11-13-20-3)14-22-17(19)10-7-9-16(18)21-12-5-2/h15H,4-14H2,1-3H3
InChIKeyPJJQWULFPXPOMU-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.50
Rot. Bonds14

About 5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate

5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate (PubChem CID 91706348) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is 5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate.

Molecular Properties

Compound Name5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate
PubChem CID91706348
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate
SMILESCCCCC(CCOC)COC(=O)CCCC(=O)OCCC
InChIInChI=1S/C17H32O5/c1-4-6-8-15(11-13-20-3)14-22-17(19)10-7-9-16(18)21-12-5-2/h15H,4-14H2,1-3H3
InChIKeyPJJQWULFPXPOMU-UHFFFAOYSA-N
XLogP3.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-O-[2-(2-methoxyethyl)heptyl] 1-O-(4-methylpentyl) pentanedioate
CID 91708266
1-O-butyl 5-O-[3-(2-methoxyethyl)nonyl] pentanedioate
CID 91708796
1-O-heptyl 5-O-[3-(2-methoxyethyl)nonyl] pentanedioate
CID 91708805
1-O-dodecyl 5-O-(2-ethylhexyl) pentanedioate
CID 91707746
bis(3-butylheptyl) hexanedioate
CID 170341681
[4-methoxy-2-(methoxymethyl)butyl] 6-butoxyhexanoate
CID 161233953
1-O-heptadecyl 5-O-(2-propylpentyl) pentanedioate
CID 91707772
1-O-hexyl 7-O-[3-(2-methoxyethyl)nonyl] heptanedioate
CID 91729098
2-hexyldecyl hexadecanoate
CID 3017919
[(2S)-2-octyldodecyl] octadecanoate
CID 73415853
2-tetradecyloctadecyl hexadecanoate
CID 3023956
[(2R)-2-hexadecylicosyl] octanoate
CID 98094426

Frequently Asked Questions

What is the IUPAC name of 5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate?
The IUPAC name of 5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate (CID 91706348) is 5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate.
What is the SMILES notation for 5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate?
The canonical SMILES for 5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate is CCCCC(CCOC)COC(=O)CCCC(=O)OCCC.
What is the InChIKey of 5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate?
The InChIKey is PJJQWULFPXPOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5/c1-4-6-8-15(11-13-20-3)14-22-17(19)10-7-9-16(18)21-12-5-2/h15H,4-14H2,1-3H3.
What are the key properties of 5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate?
5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate has a molecular weight of 316.44 g/mol, XLogP of 3.50, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-[2-(2-methoxyethyl)hexyl] 1-O-propyl pentanedioate is sourced from PubChem (CID 91706348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).