2-nonoxyethyl benzoate

C18H28O3 — CID 140608587

IUPAC2-nonoxyethyl benzoate
SMILESCCCCCCCCCOCCOC(=O)c1ccccc1
InChIInChI=1S/C18H28O3/c1-2-3-4-5-6-7-11-14-20-15-16-21-18(19)17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3
InChIKeyPHKXHOUMDZEFSL-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.61
Rot. Bonds12

About 2-nonoxyethyl benzoate

2-nonoxyethyl benzoate (PubChem CID 140608587) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-nonoxyethyl benzoate.

Molecular Properties

Compound Name2-nonoxyethyl benzoate
PubChem CID140608587
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name2-nonoxyethyl benzoate
SMILESCCCCCCCCCOCCOC(=O)c1ccccc1
InChIInChI=1S/C18H28O3/c1-2-3-4-5-6-7-11-14-20-15-16-21-18(19)17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3
InChIKeyPHKXHOUMDZEFSL-UHFFFAOYSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexyl benzoate
CID 23235
butyl benzoate;hexyl benzoate
CID 22163024
CID 172820816
CID 172820816
CID 162308343
CID 162308343
potassium;hexadecyl benzoate;hydride
CID 174392583
methanol;pentyl benzoate
CID 175222419
2-[2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631965
2-benzoyloxyethyl benzoate;dioctyl benzene-1,2-dicarboxylate
CID 70008331
2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 156631984
pentoxymethyl benzoate
CID 67613066
2-octoxyethyl 4-butylbenzoate
CID 140608616
2-hexoxyethyl 4-butylbenzoate
CID 140608518

Frequently Asked Questions

What is the IUPAC name of 2-nonoxyethyl benzoate?
The IUPAC name of 2-nonoxyethyl benzoate (CID 140608587) is 2-nonoxyethyl benzoate.
What is the SMILES notation for 2-nonoxyethyl benzoate?
The canonical SMILES for 2-nonoxyethyl benzoate is CCCCCCCCCOCCOC(=O)c1ccccc1.
What is the InChIKey of 2-nonoxyethyl benzoate?
The InChIKey is PHKXHOUMDZEFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-2-3-4-5-6-7-11-14-20-15-16-21-18(19)17-12-9-8-10-13-17/h8-10,12-13H,2-7,11,14-16H2,1H3.
What are the key properties of 2-nonoxyethyl benzoate?
2-nonoxyethyl benzoate has a molecular weight of 292.42 g/mol, XLogP of 4.61, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonoxyethyl benzoate is sourced from PubChem (CID 140608587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).