2-(2-hexoxyethoxy)ethyl decanoate

C20H40O4 — CID 139604752

IUPAC2-(2-hexoxyethoxy)ethyl decanoate
SMILESCCCCCCCCCC(=O)OCCOCCOCCCCCC
InChIInChI=1S/C20H40O4/c1-3-5-7-9-10-11-12-14-20(21)24-19-18-23-17-16-22-15-13-8-6-4-2/h3-19H2,1-2H3
InChIKeyRMNTYFRNMAIBNU-UHFFFAOYSA-N
MW344.54 g/mol
LogP5.28
Rot. Bonds19

About 2-(2-hexoxyethoxy)ethyl decanoate

2-(2-hexoxyethoxy)ethyl decanoate (PubChem CID 139604752) has the molecular formula C20H40O4 and a molecular weight of 344.54 g/mol. Its IUPAC name is 2-(2-hexoxyethoxy)ethyl decanoate.

Molecular Properties

Compound Name2-(2-hexoxyethoxy)ethyl decanoate
PubChem CID139604752
Molecular FormulaC20H40O4
Molecular Weight344.54 g/mol
Exact Mass344.29
IUPAC Name2-(2-hexoxyethoxy)ethyl decanoate
SMILESCCCCCCCCCC(=O)OCCOCCOCCCCCC
InChIInChI=1S/C20H40O4/c1-3-5-7-9-10-11-12-14-20(21)24-19-18-23-17-16-22-15-13-8-6-4-2/h3-19H2,1-2H3
InChIKeyRMNTYFRNMAIBNU-UHFFFAOYSA-N
XLogP5.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 55.28
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

2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
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-(2-hexoxyethoxy)ethyl decanoate?
The IUPAC name of 2-(2-hexoxyethoxy)ethyl decanoate (CID 139604752) is 2-(2-hexoxyethoxy)ethyl decanoate.
What is the SMILES notation for 2-(2-hexoxyethoxy)ethyl decanoate?
The canonical SMILES for 2-(2-hexoxyethoxy)ethyl decanoate is CCCCCCCCCC(=O)OCCOCCOCCCCCC.
What is the InChIKey of 2-(2-hexoxyethoxy)ethyl decanoate?
The InChIKey is RMNTYFRNMAIBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4/c1-3-5-7-9-10-11-12-14-20(21)24-19-18-23-17-16-22-15-13-8-6-4-2/h3-19H2,1-2H3.
What are the key properties of 2-(2-hexoxyethoxy)ethyl decanoate?
2-(2-hexoxyethoxy)ethyl decanoate has a molecular weight of 344.54 g/mol, XLogP of 5.28, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexoxyethoxy)ethyl decanoate is sourced from PubChem (CID 139604752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).