[(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate

C43H86O7 — CID 170658360

IUPAC[(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate
SMILESCCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCOCCOCCOC)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H86O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33-48-40-42(41-50-43(44)32-35-46-38-39-47-37-36-45-3)49-34-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h42H,4-41H2,1-3H3/t42-/m1/s1
InChIKeyYTDKJAGFSSQASH-HUESYALOSA-N
MW715.15 g/mol
LogP11.96
Rot. Bonds44

About [(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate

[(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate (PubChem CID 170658360) has the molecular formula C43H86O7 and a molecular weight of 715.15 g/mol. Its IUPAC name is [(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate.

Molecular Properties

Compound Name[(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate
PubChem CID170658360
Molecular FormulaC43H86O7
Molecular Weight715.15 g/mol
Exact Mass714.64
IUPAC Name[(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate
SMILESCCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCOCCOCCOC)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H86O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33-48-40-42(41-50-43(44)32-35-46-38-39-47-37-36-45-3)49-34-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h42H,4-41H2,1-3H3/t42-/m1/s1
InChIKeyYTDKJAGFSSQASH-HUESYALOSA-N
XLogP11.96
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds44
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.15
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)ethyl 3-[(2R)-2,3-didodecoxypropoxy]propanoate
CID 170658328
2,3-didecoxypropyl decanoate
CID 87344729
2,3-dioctadecoxypropyl 4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
CID 147919368
[3-[1,3-bis[3-(2-methoxyethoxy)propanoyloxy]propan-2-yloxy]-2-tetradecanoyloxypropyl] tetradecanoate
CID 176836513
[(2S)-2-octadecoxy-3-tetradecanoyloxypropyl] icosanoate
CID 131754071
(2-octadecoxy-3-tetracosanoyloxypropyl) tetracosanoate
CID 131758543
5-[(2R)-2,3-dihexadecoxypropoxy]-5-oxopentanoic acid
CID 18633107
1-[1-methoxy-3-(2-methoxyethoxy)propan-2-yl]oxyoctadecane
CID 126614147
[3-[2-(2-methoxyethoxy)ethoxy]-2-octadecanoyloxypropyl] octadecanoate
CID 118670056
[(2R)-2,3-di(tetradecoxy)propyl] N-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]carbamate
CID 162468032
octyl 4-(2-methoxyethoxy)butanoate
CID 121469621
hexadecyl 4-(2-methoxyethoxy)butanoate
CID 121469419

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The IUPAC name of [(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate (CID 170658360) is [(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate.
What is the SMILES notation for [(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The canonical SMILES for [(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate is CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCOCCOCCOC)OCCCCCCCCCCCCCCCC.
What is the InChIKey of [(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate?
The InChIKey is YTDKJAGFSSQASH-HUESYALOSA-N. The full InChI is InChI=1S/C43H86O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33-48-40-42(41-50-43(44)32-35-46-38-39-47-37-36-45-3)49-34-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h42H,4-41H2,1-3H3/t42-/m1/s1.
What are the key properties of [(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate?
[(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate has a molecular weight of 715.15 g/mol, XLogP of 11.96, 44 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dihexadecoxypropyl] 3-[2-(2-methoxyethoxy)ethoxy]propanoate is sourced from PubChem (CID 170658360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).