(4-ethenyl-2,6-dimethylphenyl) methyl carbonate

C12H14O3 — CID 58892267

IUPAC(4-ethenyl-2,6-dimethylphenyl) methyl carbonate
SMILESC=Cc1cc(C)c(OC(=O)OC)c(C)c1
InChIInChI=1S/C12H14O3/c1-5-10-6-8(2)11(9(3)7-10)15-12(13)14-4/h5-7H,1H2,2-4H3
InChIKeyCPNQCVKMZNEMRK-UHFFFAOYSA-N
MW206.24 g/mol
LogP3.09
Rot. Bonds2

About (4-ethenyl-2,6-dimethylphenyl) methyl carbonate

(4-ethenyl-2,6-dimethylphenyl) methyl carbonate (PubChem CID 58892267) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (4-ethenyl-2,6-dimethylphenyl) methyl carbonate.

Molecular Properties

Compound Name(4-ethenyl-2,6-dimethylphenyl) methyl carbonate
PubChem CID58892267
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(4-ethenyl-2,6-dimethylphenyl) methyl carbonate
SMILESC=Cc1cc(C)c(OC(=O)OC)c(C)c1
InChIInChI=1S/C12H14O3/c1-5-10-6-8(2)11(9(3)7-10)15-12(13)14-4/h5-7H,1H2,2-4H3
InChIKeyCPNQCVKMZNEMRK-UHFFFAOYSA-N
XLogP3.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-2,6-dimethylphenyl) methyl carbonate?
The IUPAC name of (4-ethenyl-2,6-dimethylphenyl) methyl carbonate (CID 58892267) is (4-ethenyl-2,6-dimethylphenyl) methyl carbonate.
What is the SMILES notation for (4-ethenyl-2,6-dimethylphenyl) methyl carbonate?
The canonical SMILES for (4-ethenyl-2,6-dimethylphenyl) methyl carbonate is C=Cc1cc(C)c(OC(=O)OC)c(C)c1.
What is the InChIKey of (4-ethenyl-2,6-dimethylphenyl) methyl carbonate?
The InChIKey is CPNQCVKMZNEMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-5-10-6-8(2)11(9(3)7-10)15-12(13)14-4/h5-7H,1H2,2-4H3.
What are the key properties of (4-ethenyl-2,6-dimethylphenyl) methyl carbonate?
(4-ethenyl-2,6-dimethylphenyl) methyl carbonate has a molecular weight of 206.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-2,6-dimethylphenyl) methyl carbonate is sourced from PubChem (CID 58892267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).