2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate

C48H76N2O14 — CID 169490685

IUPAC2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate
SMILESCCCCCCCCCC(=O)OCCOCCOCCOCCOC(=O)c1ccc(-c2ccc(C(=O)OCCOCCOCCOCCOC(=O)CCCCCCCCC)cn2)nc1
InChIInChI=1S/C48H76N2O14/c1-3-5-7-9-11-13-15-17-45(51)61-35-31-57-27-23-55-25-29-59-33-37-63-47(53)41-19-21-43(49-39-41)44-22-20-42(40-50-44)48(54)64-38-34-60-30-26-56-24-28-58-32-36-62-46(52)18-16-14-12-10-8-6-4-2/h19-22,39-40H,3-18,23-38H2,1-2H3
InChIKeyHIAMRCQMYNNHLV-UHFFFAOYSA-N
MW905.14 g/mol
LogP7.92
Rot. Bonds43

About 2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate

2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate (PubChem CID 169490685) has the molecular formula C48H76N2O14 and a molecular weight of 905.14 g/mol. Its IUPAC name is 2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate.

Molecular Properties

Compound Name2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate
PubChem CID169490685
Molecular FormulaC48H76N2O14
Molecular Weight905.14 g/mol
Exact Mass904.53
IUPAC Name2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate
SMILESCCCCCCCCCC(=O)OCCOCCOCCOCCOC(=O)c1ccc(-c2ccc(C(=O)OCCOCCOCCOCCOC(=O)CCCCCCCCC)cn2)nc1
InChIInChI=1S/C48H76N2O14/c1-3-5-7-9-11-13-15-17-45(51)61-35-31-57-27-23-55-25-29-59-33-37-63-47(53)41-19-21-43(49-39-41)44-22-20-42(40-50-44)48(54)64-38-34-60-30-26-56-24-28-58-32-36-62-46(52)18-16-14-12-10-8-6-4-2/h19-22,39-40H,3-18,23-38H2,1-2H3
InChIKeyHIAMRCQMYNNHLV-UHFFFAOYSA-N
XLogP7.92
TPSA186.36 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds43
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500905.14
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
2-butoxyethyl 6-bromopyridine-3-carboxylate
CID 66462585
2-(2-phenoxyethoxy)ethyl octadecanoate
CID 18459535
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-dodecoxyethyl octadecanoate
CID 23042460
2-(2-butoxyethoxy)ethyl octadecanoate
CID 3022830

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate?
The IUPAC name of 2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate (CID 169490685) is 2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate.
What is the SMILES notation for 2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate?
The canonical SMILES for 2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate is CCCCCCCCCC(=O)OCCOCCOCCOCCOC(=O)c1ccc(-c2ccc(C(=O)OCCOCCOCCOCCOC(=O)CCCCCCCCC)cn2)nc1.
What is the InChIKey of 2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate?
The InChIKey is HIAMRCQMYNNHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H76N2O14/c1-3-5-7-9-11-13-15-17-45(51)61-35-31-57-27-23-55-25-29-59-33-37-63-47(53)41-19-21-43(49-39-41)44-22-20-42(40-50-44)48(54)64-38-34-60-30-26-56-24-28-58-32-36-62-46(52)18-16-14-12-10-8-6-4-2/h19-22,39-40H,3-18,23-38H2,1-2H3.
What are the key properties of 2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate?
2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate has a molecular weight of 905.14 g/mol, XLogP of 7.92, 43 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethyl 6-[5-[2-[2-[2-(2-decanoyloxyethoxy)ethoxy]ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-3-carboxylate is sourced from PubChem (CID 169490685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).