2-nonoxyethyl 2-methylbenzoate

C19H30O3 — CID 140608638

IUPAC2-nonoxyethyl 2-methylbenzoate
SMILESCCCCCCCCCOCCOC(=O)c1ccccc1C
InChIInChI=1S/C19H30O3/c1-3-4-5-6-7-8-11-14-21-15-16-22-19(20)18-13-10-9-12-17(18)2/h9-10,12-13H,3-8,11,14-16H2,1-2H3
InChIKeyUZTARALCFSPUAT-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.92
Rot. Bonds12

About 2-nonoxyethyl 2-methylbenzoate

2-nonoxyethyl 2-methylbenzoate (PubChem CID 140608638) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-nonoxyethyl 2-methylbenzoate.

Molecular Properties

Compound Name2-nonoxyethyl 2-methylbenzoate
PubChem CID140608638
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name2-nonoxyethyl 2-methylbenzoate
SMILESCCCCCCCCCOCCOC(=O)c1ccccc1C
InChIInChI=1S/C19H30O3/c1-3-4-5-6-7-8-11-14-21-15-16-22-19(20)18-13-10-9-12-17(18)2/h9-10,12-13H,3-8,11,14-16H2,1-2H3
InChIKeyUZTARALCFSPUAT-UHFFFAOYSA-N
XLogP4.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.92
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

tridecyl 2-methylbenzoate
CID 530568
2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxycarbonyl]benzoic acid
CID 141493838
2-hexoxyethyl 2-propylbenzoate
CID 140608686
1-O-decyl 2-O-[2-(2-hydroxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 170841279
dodecyl 2-methylbenzenecarboperoxoate
CID 174623271
dinonyl benzene-1,2-dicarboxylate;dioctyl benzene-1,2-dicarboxylate
CID 159101599
propyl 2-methylbenzoate
CID 23432654
2-O-nonyl 1-O-pentyl benzene-1,2-dicarboxylate
CID 6423391
diicosyl benzene-1,2-dicarboxylate
CID 22491819
1-O-hexyl 2-O-tetradecyl benzene-1,2-dicarboxylate
CID 6423379
ditridecyl benzene-1,2-dicarboxylate
CID 8379
didecyl benzene-1,2-dicarboxylate;ditridecyl benzene-1,2-dicarboxylate
CID 88778936

Frequently Asked Questions

What is the IUPAC name of 2-nonoxyethyl 2-methylbenzoate?
The IUPAC name of 2-nonoxyethyl 2-methylbenzoate (CID 140608638) is 2-nonoxyethyl 2-methylbenzoate.
What is the SMILES notation for 2-nonoxyethyl 2-methylbenzoate?
The canonical SMILES for 2-nonoxyethyl 2-methylbenzoate is CCCCCCCCCOCCOC(=O)c1ccccc1C.
What is the InChIKey of 2-nonoxyethyl 2-methylbenzoate?
The InChIKey is UZTARALCFSPUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-3-4-5-6-7-8-11-14-21-15-16-22-19(20)18-13-10-9-12-17(18)2/h9-10,12-13H,3-8,11,14-16H2,1-2H3.
What are the key properties of 2-nonoxyethyl 2-methylbenzoate?
2-nonoxyethyl 2-methylbenzoate has a molecular weight of 306.45 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonoxyethyl 2-methylbenzoate is sourced from PubChem (CID 140608638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).