1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate

C16H22O3 — CID 67203893

IUPAC1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate
SMILESC=Cc1ccccc1C(=O)OC(C)OC(C)(C)CC
InChIInChI=1S/C16H22O3/c1-6-13-10-8-9-11-14(13)15(17)18-12(3)19-16(4,5)7-2/h6,8-12H,1,7H2,2-5H3
InChIKeyBDILEGPHDHTIGH-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.04
Rot. Bonds6

About 1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate

1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate (PubChem CID 67203893) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate.

Molecular Properties

Compound Name1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate
PubChem CID67203893
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate
SMILESC=Cc1ccccc1C(=O)OC(C)OC(C)(C)CC
InChIInChI=1S/C16H22O3/c1-6-13-10-8-9-11-14(13)15(17)18-12(3)19-16(4,5)7-2/h6,8-12H,1,7H2,2-5H3
InChIKeyBDILEGPHDHTIGH-UHFFFAOYSA-N
XLogP4.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate?
The IUPAC name of 1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate (CID 67203893) is 1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate.
What is the SMILES notation for 1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate?
The canonical SMILES for 1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate is C=Cc1ccccc1C(=O)OC(C)OC(C)(C)CC.
What is the InChIKey of 1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate?
The InChIKey is BDILEGPHDHTIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-6-13-10-8-9-11-14(13)15(17)18-12(3)19-16(4,5)7-2/h6,8-12H,1,7H2,2-5H3.
What are the key properties of 1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate?
1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate has a molecular weight of 262.35 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yloxy)ethyl 2-ethenylbenzoate is sourced from PubChem (CID 67203893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).