2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate

C38H74O5 — CID 102240292

IUPAC2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
SMILESCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(39)42-35-33-41-34-36-43-38(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKeyBGPWDFMCAPBDKI-UHFFFAOYSA-N
MW611.01 g/mol
LogP11.83
Rot. Bonds36

About 2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate

2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate (PubChem CID 102240292) has the molecular formula C38H74O5 and a molecular weight of 611.01 g/mol. Its IUPAC name is 2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate.

Molecular Properties

Compound Name2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
PubChem CID102240292
Molecular FormulaC38H74O5
Molecular Weight611.01 g/mol
Exact Mass610.55
IUPAC Name2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
SMILESCCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(39)42-35-33-41-34-36-43-38(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKeyBGPWDFMCAPBDKI-UHFFFAOYSA-N
XLogP11.83
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds36
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.01
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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-heptadecanoyloxyethoxy)ethyl heptadecanoate?
The IUPAC name of 2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate (CID 102240292) is 2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate.
What is the SMILES notation for 2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate?
The canonical SMILES for 2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate is CCCCCCCCCCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCCCCCCCCCCC.
What is the InChIKey of 2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate?
The InChIKey is BGPWDFMCAPBDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(39)42-35-33-41-34-36-43-38(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3.
What are the key properties of 2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate?
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate has a molecular weight of 611.01 g/mol, XLogP of 11.83, 36 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate is sourced from PubChem (CID 102240292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).