2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate

C38H74O7 — CID 54361642

IUPAC2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C38H74O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37(39)44-35-33-42-31-29-41-30-32-43-34-36-45-38(40)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKeyUMXOWKWKGRNLQZ-UHFFFAOYSA-N
MW643.00 g/mol
LogP10.31
Rot. Bonds38

About 2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate

2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate (PubChem CID 54361642) has the molecular formula C38H74O7 and a molecular weight of 643.00 g/mol. Its IUPAC name is 2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate.

Molecular Properties

Compound Name2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
PubChem CID54361642
Molecular FormulaC38H74O7
Molecular Weight643.00 g/mol
Exact Mass642.54
IUPAC Name2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCC
InChIInChI=1S/C38H74O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37(39)44-35-33-42-31-29-41-30-32-43-34-36-45-38(40)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKeyUMXOWKWKGRNLQZ-UHFFFAOYSA-N
XLogP10.31
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds38
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.00
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
2-pentoxyethyl hexadecanoate
CID 139604749
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
2-(2-butoxyethoxy)ethyl octadecanoate
CID 3022830
2-butoxyethyl octadecanoate;butyl octadecanoate
CID 162130096
2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate
CID 150033358

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate?
The IUPAC name of 2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate (CID 54361642) is 2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate.
What is the SMILES notation for 2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate?
The canonical SMILES for 2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate is CCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCC.
What is the InChIKey of 2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate?
The InChIKey is UMXOWKWKGRNLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-37(39)44-35-33-42-31-29-41-30-32-43-34-36-45-38(40)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3.
What are the key properties of 2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate?
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate has a molecular weight of 643.00 g/mol, XLogP of 10.31, 38 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate is sourced from PubChem (CID 54361642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).