tert-butyl 5-ethenyl-2-methoxybenzoate

C14H18O3 — CID 155289029

IUPACtert-butyl 5-ethenyl-2-methoxybenzoate
SMILESC=Cc1ccc(OC)c(C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H18O3/c1-6-10-7-8-12(16-5)11(9-10)13(15)17-14(2,3)4/h6-9H,1H2,2-5H3
InChIKeyVGPXVUJTSRYOQN-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.29
Rot. Bonds3

About tert-butyl 5-ethenyl-2-methoxybenzoate

tert-butyl 5-ethenyl-2-methoxybenzoate (PubChem CID 155289029) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is tert-butyl 5-ethenyl-2-methoxybenzoate.

Molecular Properties

Compound Nametert-butyl 5-ethenyl-2-methoxybenzoate
PubChem CID155289029
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Nametert-butyl 5-ethenyl-2-methoxybenzoate
SMILESC=Cc1ccc(OC)c(C(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H18O3/c1-6-10-7-8-12(16-5)11(9-10)13(15)17-14(2,3)4/h6-9H,1H2,2-5H3
InChIKeyVGPXVUJTSRYOQN-UHFFFAOYSA-N
XLogP3.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)propan-2-yl 5-ethenyl-2-methoxybenzoate
CID 170048837
tert-butyl 5-ethenyl-2-(2,3,4,5,6-pentafluorophenoxy)benzoate
CID 167270724
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
tert-butyl 2-cyano-4-ethenylbenzoate
CID 86675120
tert-butyl 2-ethenoxy-5-fluorobenzoate
CID 171935000
tert-butyl 2-ethenyl-5-methoxybenzoate
CID 172649027
tert-butyl 2,3,4-trimethoxybenzoate
CID 63897006
tert-butyl 4-(3-ethenyl-4-methoxyphenyl)benzoate
CID 178183612
4-ethenyl-1,2-dimethoxybenzene
CID 159733418
tert-butyl 2,4-dimethoxybenzoate
CID 63897355
methyl 5-ethenyl-2-methylbenzoate
CID 10702422
methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-ethenyl-2-methoxybenzoate?
The IUPAC name of tert-butyl 5-ethenyl-2-methoxybenzoate (CID 155289029) is tert-butyl 5-ethenyl-2-methoxybenzoate.
What is the SMILES notation for tert-butyl 5-ethenyl-2-methoxybenzoate?
The canonical SMILES for tert-butyl 5-ethenyl-2-methoxybenzoate is C=Cc1ccc(OC)c(C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 5-ethenyl-2-methoxybenzoate?
The InChIKey is VGPXVUJTSRYOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-6-10-7-8-12(16-5)11(9-10)13(15)17-14(2,3)4/h6-9H,1H2,2-5H3.
What are the key properties of tert-butyl 5-ethenyl-2-methoxybenzoate?
tert-butyl 5-ethenyl-2-methoxybenzoate has a molecular weight of 234.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-ethenyl-2-methoxybenzoate is sourced from PubChem (CID 155289029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).