[(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate

C15H20O2 — CID 54607800

IUPAC[(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate
SMILESC/C=C\COC(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H20O2/c1-6-7-8-17-15(16)14-12(4)10(2)9-11(3)13(14)5/h6-7,9H,8H2,1-5H3/b7-6-
InChIKeySFJSQDYPGAHHGD-SREVYHEPSA-N
MW232.32 g/mol
LogP3.65
Rot. Bonds3

About [(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate

[(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate (PubChem CID 54607800) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate.

Molecular Properties

Compound Name[(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate
PubChem CID54607800
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name[(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate
SMILESC/C=C\COC(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H20O2/c1-6-7-8-17-15(16)14-12(4)10(2)9-11(3)13(14)5/h6-7,9H,8H2,1-5H3/b7-6-
InChIKeySFJSQDYPGAHHGD-SREVYHEPSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate?
The IUPAC name of [(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate (CID 54607800) is [(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate.
What is the SMILES notation for [(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate?
The canonical SMILES for [(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate is C/C=C\COC(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of [(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate?
The InChIKey is SFJSQDYPGAHHGD-SREVYHEPSA-N. The full InChI is InChI=1S/C15H20O2/c1-6-7-8-17-15(16)14-12(4)10(2)9-11(3)13(14)5/h6-7,9H,8H2,1-5H3/b7-6-.
What are the key properties of [(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate?
[(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate has a molecular weight of 232.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-2-enyl] 2,3,5,6-tetramethylbenzoate is sourced from PubChem (CID 54607800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).