2-phenoxyethyl 2-ethoxynonanoate

C19H30O4 — CID 174802894

IUPAC2-phenoxyethyl 2-ethoxynonanoate
SMILESCCCCCCCC(OCC)C(=O)OCCOc1ccccc1
InChIInChI=1S/C19H30O4/c1-3-5-6-7-11-14-18(21-4-2)19(20)23-16-15-22-17-12-9-8-10-13-17/h8-10,12-13,18H,3-7,11,14-16H2,1-2H3
InChIKeyZEAKVHUTNDWJSZ-UHFFFAOYSA-N
MW322.44 g/mol
LogP4.37
Rot. Bonds13

About 2-phenoxyethyl 2-ethoxynonanoate

2-phenoxyethyl 2-ethoxynonanoate (PubChem CID 174802894) has the molecular formula C19H30O4 and a molecular weight of 322.44 g/mol. Its IUPAC name is 2-phenoxyethyl 2-ethoxynonanoate.

Molecular Properties

Compound Name2-phenoxyethyl 2-ethoxynonanoate
PubChem CID174802894
Molecular FormulaC19H30O4
Molecular Weight322.44 g/mol
Exact Mass322.21
IUPAC Name2-phenoxyethyl 2-ethoxynonanoate
SMILESCCCCCCCC(OCC)C(=O)OCCOc1ccccc1
InChIInChI=1S/C19H30O4/c1-3-5-6-7-11-14-18(21-4-2)19(20)23-16-15-22-17-12-9-8-10-13-17/h8-10,12-13,18H,3-7,11,14-16H2,1-2H3
InChIKeyZEAKVHUTNDWJSZ-UHFFFAOYSA-N
XLogP4.37
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 54.37
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

2-(2-phenoxyethoxy)pentadecanoic acid
CID 122612494
2-(2-phenoxyethoxy)tetradecanoic acid
CID 122611876
ethyl 2-phenoxydecanoate
CID 101000092
phenyl 2-ethoxyhexanoate
CID 174752076
2-phenoxyethyl pentadecanoate
CID 21424175
2-phenoxyethyl undecanoate
CID 54508523
1-O-octyl 4-O-(2-phenoxyethyl) benzene-1,4-dicarboxylate
CID 91741815
2-(2-phenoxyethoxy)ethyl octadecanoate
CID 18459535
pentoxybenzene;undecane
CID 174778179
CID 172729271
CID 172729271
2-phenoxyethyl 3-amino-2-methoxypropanoate
CID 114144555
2-ethoxycarbonyl-5-phenoxypentanoic acid
CID 54066512

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-ethoxynonanoate?
The IUPAC name of 2-phenoxyethyl 2-ethoxynonanoate (CID 174802894) is 2-phenoxyethyl 2-ethoxynonanoate.
What is the SMILES notation for 2-phenoxyethyl 2-ethoxynonanoate?
The canonical SMILES for 2-phenoxyethyl 2-ethoxynonanoate is CCCCCCCC(OCC)C(=O)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-ethoxynonanoate?
The InChIKey is ZEAKVHUTNDWJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4/c1-3-5-6-7-11-14-18(21-4-2)19(20)23-16-15-22-17-12-9-8-10-13-17/h8-10,12-13,18H,3-7,11,14-16H2,1-2H3.
What are the key properties of 2-phenoxyethyl 2-ethoxynonanoate?
2-phenoxyethyl 2-ethoxynonanoate has a molecular weight of 322.44 g/mol, XLogP of 4.37, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-ethoxynonanoate is sourced from PubChem (CID 174802894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).