ethyl 9,9-diethoxynonanoate

C15H30O4 — CID 568557

IUPACethyl 9,9-diethoxynonanoate
SMILESCCOC(=O)CCCCCCCC(OCC)OCC
InChIInChI=1S/C15H30O4/c1-4-17-14(16)12-10-8-7-9-11-13-15(18-5-2)19-6-3/h15H,4-13H2,1-3H3
InChIKeyFUHCSXNXTVRKIW-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.68
Rot. Bonds13

About ethyl 9,9-diethoxynonanoate

ethyl 9,9-diethoxynonanoate (PubChem CID 568557) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is ethyl 9,9-diethoxynonanoate.

Molecular Properties

Compound Nameethyl 9,9-diethoxynonanoate
PubChem CID568557
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Nameethyl 9,9-diethoxynonanoate
SMILESCCOC(=O)CCCCCCCC(OCC)OCC
InChIInChI=1S/C15H30O4/c1-4-17-14(16)12-10-8-7-9-11-13-15(18-5-2)19-6-3/h15H,4-13H2,1-3H3
InChIKeyFUHCSXNXTVRKIW-UHFFFAOYSA-N
XLogP3.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 9,9-diethoxynonanoate?
The IUPAC name of ethyl 9,9-diethoxynonanoate (CID 568557) is ethyl 9,9-diethoxynonanoate.
What is the SMILES notation for ethyl 9,9-diethoxynonanoate?
The canonical SMILES for ethyl 9,9-diethoxynonanoate is CCOC(=O)CCCCCCCC(OCC)OCC.
What is the InChIKey of ethyl 9,9-diethoxynonanoate?
The InChIKey is FUHCSXNXTVRKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-4-17-14(16)12-10-8-7-9-11-13-15(18-5-2)19-6-3/h15H,4-13H2,1-3H3.
What are the key properties of ethyl 9,9-diethoxynonanoate?
ethyl 9,9-diethoxynonanoate has a molecular weight of 274.40 g/mol, XLogP of 3.68, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9,9-diethoxynonanoate is sourced from PubChem (CID 568557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).