2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate

C24H48O5 — CID 86143697

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate
SMILESCC(C)CCCCCCCCCCCCCCC(=O)OCCOCCOCCO
InChIInChI=1S/C24H48O5/c1-23(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24(26)29-22-21-28-20-19-27-18-17-25/h23,25H,3-22H2,1-2H3
InChIKeyPSQFOYNNWBCJMY-UHFFFAOYSA-N
MW416.64 g/mol
LogP5.67
Rot. Bonds23

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate (PubChem CID 86143697) has the molecular formula C24H48O5 and a molecular weight of 416.64 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate
PubChem CID86143697
Molecular FormulaC24H48O5
Molecular Weight416.64 g/mol
Exact Mass416.35
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate
SMILESCC(C)CCCCCCCCCCCCCCC(=O)OCCOCCOCCO
InChIInChI=1S/C24H48O5/c1-23(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24(26)29-22-21-28-20-19-27-18-17-25/h23,25H,3-22H2,1-2H3
InChIKeyPSQFOYNNWBCJMY-UHFFFAOYSA-N
XLogP5.67
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.64
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate (CID 86143697) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate is CC(C)CCCCCCCCCCCCCCC(=O)OCCOCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate?
The InChIKey is PSQFOYNNWBCJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O5/c1-23(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24(26)29-22-21-28-20-19-27-18-17-25/h23,25H,3-22H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate has a molecular weight of 416.64 g/mol, XLogP of 5.67, 23 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 16-methylheptadecanoate is sourced from PubChem (CID 86143697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).