2-(2-pentoxyethoxy)ethyl tetradecanoate

C23H46O4 — CID 139604741

IUPAC2-(2-pentoxyethoxy)ethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCCOCCOCCCCC
InChIInChI=1S/C23H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-17-23(24)27-22-21-26-20-19-25-18-16-6-4-2/h3-22H2,1-2H3
InChIKeyBBBHMQDPYFYKTK-UHFFFAOYSA-N
MW386.62 g/mol
LogP6.45
Rot. Bonds22

About 2-(2-pentoxyethoxy)ethyl tetradecanoate

2-(2-pentoxyethoxy)ethyl tetradecanoate (PubChem CID 139604741) has the molecular formula C23H46O4 and a molecular weight of 386.62 g/mol. Its IUPAC name is 2-(2-pentoxyethoxy)ethyl tetradecanoate.

Molecular Properties

Compound Name2-(2-pentoxyethoxy)ethyl tetradecanoate
PubChem CID139604741
Molecular FormulaC23H46O4
Molecular Weight386.62 g/mol
Exact Mass386.34
IUPAC Name2-(2-pentoxyethoxy)ethyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCCOCCOCCCCC
InChIInChI=1S/C23H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-17-23(24)27-22-21-26-20-19-25-18-16-6-4-2/h3-22H2,1-2H3
InChIKeyBBBHMQDPYFYKTK-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

2-pentoxyethyl hexadecanoate
CID 139604749
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-(2-pentoxyethoxy)ethyl tetradecanoate?
The IUPAC name of 2-(2-pentoxyethoxy)ethyl tetradecanoate (CID 139604741) is 2-(2-pentoxyethoxy)ethyl tetradecanoate.
What is the SMILES notation for 2-(2-pentoxyethoxy)ethyl tetradecanoate?
The canonical SMILES for 2-(2-pentoxyethoxy)ethyl tetradecanoate is CCCCCCCCCCCCCC(=O)OCCOCCOCCCCC.
What is the InChIKey of 2-(2-pentoxyethoxy)ethyl tetradecanoate?
The InChIKey is BBBHMQDPYFYKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-17-23(24)27-22-21-26-20-19-25-18-16-6-4-2/h3-22H2,1-2H3.
What are the key properties of 2-(2-pentoxyethoxy)ethyl tetradecanoate?
2-(2-pentoxyethoxy)ethyl tetradecanoate 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 2-(2-pentoxyethoxy)ethyl tetradecanoate is sourced from PubChem (CID 139604741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).