2-(2-ethoxyethoxy)ethyl nonanoate

C15H30O4 — CID 91696211

IUPAC2-(2-ethoxyethoxy)ethyl nonanoate
SMILESCCCCCCCCC(=O)OCCOCCOCC
InChIInChI=1S/C15H30O4/c1-3-5-6-7-8-9-10-15(16)19-14-13-18-12-11-17-4-2/h3-14H2,1-2H3
InChIKeyQNOCBHYYGWFCED-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.33
Rot. Bonds14

About 2-(2-ethoxyethoxy)ethyl nonanoate

2-(2-ethoxyethoxy)ethyl nonanoate (PubChem CID 91696211) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl nonanoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl nonanoate
PubChem CID91696211
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name2-(2-ethoxyethoxy)ethyl nonanoate
SMILESCCCCCCCCC(=O)OCCOCCOCC
InChIInChI=1S/C15H30O4/c1-3-5-6-7-8-9-10-15(16)19-14-13-18-12-11-17-4-2/h3-14H2,1-2H3
InChIKeyQNOCBHYYGWFCED-UHFFFAOYSA-N
XLogP3.33
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.33
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

Tricaprylin
CID 10850
Dibutyl Sebacate
CID 7986
Methyl Laurate
CID 8139
Methyl Decanoate
CID 8050
Methyl Octanoate
CID 8091
Methyl Myristate
CID 31284
Tricaprin
CID 69310
Methyl nonanoate
CID 15606
Ethyl Heptanoate
CID 7797
Diethyl Sebacate
CID 8049
Ethyl Dodecanoate
CID 7800
Ethyl Myristate
CID 31283

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl nonanoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl nonanoate (CID 91696211) is 2-(2-ethoxyethoxy)ethyl nonanoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl nonanoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl nonanoate is CCCCCCCCC(=O)OCCOCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl nonanoate?
The InChIKey is QNOCBHYYGWFCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-3-5-6-7-8-9-10-15(16)19-14-13-18-12-11-17-4-2/h3-14H2,1-2H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl nonanoate?
2-(2-ethoxyethoxy)ethyl nonanoate has a molecular weight of 274.40 g/mol, XLogP of 3.33, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl nonanoate is sourced from PubChem (CID 91696211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).