decyl 2-ethenylbenzoate

C19H28O2 — CID 139672721

IUPACdecyl 2-ethenylbenzoate
SMILESC=Cc1ccccc1C(=O)OCCCCCCCCCC
InChIInChI=1S/C19H28O2/c1-3-5-6-7-8-9-10-13-16-21-19(20)18-15-12-11-14-17(18)4-2/h4,11-12,14-15H,2-3,5-10,13,16H2,1H3
InChIKeyBPFVWIVYHJFMHF-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.63
Rot. Bonds11

About decyl 2-ethenylbenzoate

decyl 2-ethenylbenzoate (PubChem CID 139672721) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is decyl 2-ethenylbenzoate.

Molecular Properties

Compound Namedecyl 2-ethenylbenzoate
PubChem CID139672721
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Namedecyl 2-ethenylbenzoate
SMILESC=Cc1ccccc1C(=O)OCCCCCCCCCC
InChIInChI=1S/C19H28O2/c1-3-5-6-7-8-9-10-13-16-21-19(20)18-15-12-11-14-17(18)4-2/h4,11-12,14-15H,2-3,5-10,13,16H2,1H3
InChIKeyBPFVWIVYHJFMHF-UHFFFAOYSA-N
XLogP5.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diicosyl benzene-1,2-dicarboxylate
CID 22491819
dinonyl benzene-1,2-dicarboxylate;dioctyl benzene-1,2-dicarboxylate
CID 159101599
1-O-hexyl 2-O-tetradecyl benzene-1,2-dicarboxylate
CID 6423379
2-O-nonyl 1-O-pentyl benzene-1,2-dicarboxylate
CID 6423391
ditridecyl benzene-1,2-dicarboxylate
CID 8379
didecyl benzene-1,2-dicarboxylate;ditridecyl benzene-1,2-dicarboxylate
CID 88778936
2-O-decyl 1-O-pentyl benzene-1,2-dicarboxylate
CID 6423868
dioctyl benzene-1,2-dicarboxylate;ethane-1,2-diol
CID 19013740
benzene;ditridecyl benzene-1,2-dicarboxylate
CID 141316421
dioctyl benzene-1,2-dicarboxylate;dihydrate
CID 174523896
CID 172705473
CID 172705473
dioctyl benzene-1,2-dicarboxylate;hydrochloride
CID 172692264

Frequently Asked Questions

What is the IUPAC name of decyl 2-ethenylbenzoate?
The IUPAC name of decyl 2-ethenylbenzoate (CID 139672721) is decyl 2-ethenylbenzoate.
What is the SMILES notation for decyl 2-ethenylbenzoate?
The canonical SMILES for decyl 2-ethenylbenzoate is C=Cc1ccccc1C(=O)OCCCCCCCCCC.
What is the InChIKey of decyl 2-ethenylbenzoate?
The InChIKey is BPFVWIVYHJFMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-3-5-6-7-8-9-10-13-16-21-19(20)18-15-12-11-14-17(18)4-2/h4,11-12,14-15H,2-3,5-10,13,16H2,1H3.
What are the key properties of decyl 2-ethenylbenzoate?
decyl 2-ethenylbenzoate has a molecular weight of 288.43 g/mol, XLogP of 5.63, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-ethenylbenzoate is sourced from PubChem (CID 139672721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).