2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate

C68H134O5 — CID 102240305

IUPAC2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C68H134O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-67(69)72-65-63-71-64-66-73-68(70)62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-66H2,1-2H3
InChIKeyHUEWOSKCXIAXSP-UHFFFAOYSA-N
MW1031.81 g/mol
LogP23.54
Rot. Bonds66

About 2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate

2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate (PubChem CID 102240305) has the molecular formula C68H134O5 and a molecular weight of 1031.81 g/mol. Its IUPAC name is 2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate.

Molecular Properties

Compound Name2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
PubChem CID102240305
Molecular FormulaC68H134O5
Molecular Weight1031.81 g/mol
Exact Mass1031.02
IUPAC Name2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C68H134O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-67(69)72-65-63-71-64-66-73-68(70)62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-66H2,1-2H3
InChIKeyHUEWOSKCXIAXSP-UHFFFAOYSA-N
XLogP23.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds66
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.81
LogP ≤ 523.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-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-dotriacontanoyloxyethoxy)ethyl dotriacontanoate?
The IUPAC name of 2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate (CID 102240305) is 2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate.
What is the SMILES notation for 2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate?
The canonical SMILES for 2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate?
The InChIKey is HUEWOSKCXIAXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H134O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-67(69)72-65-63-71-64-66-73-68(70)62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-66H2,1-2H3.
What are the key properties of 2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate?
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate has a molecular weight of 1031.81 g/mol, XLogP of 23.54, 66 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate is sourced from PubChem (CID 102240305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).