2-pentoxyethyl hexadecanoate

C23H46O3 — CID 139604749

IUPAC2-pentoxyethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCOCCCCC
InChIInChI=1S/C23H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23(24)26-22-21-25-20-18-6-4-2/h3-22H2,1-2H3
InChIKeyZHSLUHTYRVOXEC-UHFFFAOYSA-N
MW370.62 g/mol
LogP7.22
Rot. Bonds21

About 2-pentoxyethyl hexadecanoate

2-pentoxyethyl hexadecanoate (PubChem CID 139604749) has the molecular formula C23H46O3 and a molecular weight of 370.62 g/mol. Its IUPAC name is 2-pentoxyethyl hexadecanoate.

Molecular Properties

Compound Name2-pentoxyethyl hexadecanoate
PubChem CID139604749
Molecular FormulaC23H46O3
Molecular Weight370.62 g/mol
Exact Mass370.34
IUPAC Name2-pentoxyethyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCCOCCCCC
InChIInChI=1S/C23H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23(24)26-22-21-25-20-18-6-4-2/h3-22H2,1-2H3
InChIKeyZHSLUHTYRVOXEC-UHFFFAOYSA-N
XLogP7.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-dodecoxyethyl octadecanoate
CID 23042460
6-O-(2-butoxyethyl) 1-O-hexyl hexanedioate
CID 91692824
2-(2-butoxyethoxy)ethyl octadecanoate
CID 3022830
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
2-butoxyethyl octadecanoate;butyl octadecanoate
CID 162130096
hexadecyl 4-(2-decoxyethoxy)butanoate
CID 121470350

Frequently Asked Questions

What is the IUPAC name of 2-pentoxyethyl hexadecanoate?
The IUPAC name of 2-pentoxyethyl hexadecanoate (CID 139604749) is 2-pentoxyethyl hexadecanoate.
What is the SMILES notation for 2-pentoxyethyl hexadecanoate?
The canonical SMILES for 2-pentoxyethyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OCCOCCCCC.
What is the InChIKey of 2-pentoxyethyl hexadecanoate?
The InChIKey is ZHSLUHTYRVOXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23(24)26-22-21-25-20-18-6-4-2/h3-22H2,1-2H3.
What are the key properties of 2-pentoxyethyl hexadecanoate?
2-pentoxyethyl hexadecanoate has a molecular weight of 370.62 g/mol, XLogP of 7.22, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxyethyl hexadecanoate is sourced from PubChem (CID 139604749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).