hexadecyl 4-(2-methoxyethoxy)butanoate

C23H46O4 — CID 121469419

IUPAChexadecyl 4-(2-methoxyethoxy)butanoate
SMILESCCCCCCCCCCCCCCCCOC(=O)CCCOCCOC
InChIInChI=1S/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-23(24)18-17-19-26-22-21-25-2/h3-22H2,1-2H3
InChIKeyFMUOEXKEQPLREN-UHFFFAOYSA-N
MW386.62 g/mol
LogP6.45
Rot. Bonds22

About hexadecyl 4-(2-methoxyethoxy)butanoate

hexadecyl 4-(2-methoxyethoxy)butanoate (PubChem CID 121469419) has the molecular formula C23H46O4 and a molecular weight of 386.62 g/mol. Its IUPAC name is hexadecyl 4-(2-methoxyethoxy)butanoate.

Molecular Properties

Compound Namehexadecyl 4-(2-methoxyethoxy)butanoate
PubChem CID121469419
Molecular FormulaC23H46O4
Molecular Weight386.62 g/mol
Exact Mass386.34
IUPAC Namehexadecyl 4-(2-methoxyethoxy)butanoate
SMILESCCCCCCCCCCCCCCCCOC(=O)CCCOCCOC
InChIInChI=1S/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-23(24)18-17-19-26-22-21-25-2/h3-22H2,1-2H3
InChIKeyFMUOEXKEQPLREN-UHFFFAOYSA-N
XLogP6.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octyl 4-(2-methoxyethoxy)butanoate
CID 121469621
dodecyl 4-(2-decoxyethoxy)butanoate
CID 121469874
hexyl 4-[2-(2-decoxyethoxy)ethoxy]butanoate
CID 121469809
hexadecyl 4-(2-decoxyethoxy)butanoate
CID 121470350
octadecyl 4-[2-(2-undecoxyethoxy)ethoxy]butanoate
CID 121470527
hexyl 4-[2-[2-(2-heptoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470252
nonyl 4-(2-pentoxyethoxy)butanoate
CID 121470464
octadecyl 4-(2-heptoxyethoxy)butanoate
CID 121469384
decyl 4-(2-decoxyethoxy)butanoate
CID 121470374
hexadecyl 4-(2-dodecoxyethoxy)butanoate
CID 121469473
tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470338
hexyl 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469353

Frequently Asked Questions

What is the IUPAC name of hexadecyl 4-(2-methoxyethoxy)butanoate?
The IUPAC name of hexadecyl 4-(2-methoxyethoxy)butanoate (CID 121469419) is hexadecyl 4-(2-methoxyethoxy)butanoate.
What is the SMILES notation for hexadecyl 4-(2-methoxyethoxy)butanoate?
The canonical SMILES for hexadecyl 4-(2-methoxyethoxy)butanoate is CCCCCCCCCCCCCCCCOC(=O)CCCOCCOC.
What is the InChIKey of hexadecyl 4-(2-methoxyethoxy)butanoate?
The InChIKey is FMUOEXKEQPLREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-23(24)18-17-19-26-22-21-25-2/h3-22H2,1-2H3.
What are the key properties of hexadecyl 4-(2-methoxyethoxy)butanoate?
hexadecyl 4-(2-methoxyethoxy)butanoate has a molecular weight of 386.62 g/mol, XLogP of 6.45, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl 4-(2-methoxyethoxy)butanoate is sourced from PubChem (CID 121469419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).