[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate

C15H20O4 — CID 67978627

IUPAC[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H20O4/c1-10(16)17-12-9-7-6-8-11(12)13-18-14(2,3)15(4,5)19-13/h6-9,13H,1-5H3
InChIKeyKCSNWNALFGKIEM-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.21
Rot. Bonds2

About [2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate

[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate (PubChem CID 67978627) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate.

Molecular Properties

Compound Name[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate
PubChem CID67978627
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate
SMILESCC(=O)Oc1ccccc1C1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H20O4/c1-10(16)17-12-9-7-6-8-11(12)13-18-14(2,3)15(4,5)19-13/h6-9,13H,1-5H3
InChIKeyKCSNWNALFGKIEM-UHFFFAOYSA-N
XLogP3.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate?
The IUPAC name of [2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate (CID 67978627) is [2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate.
What is the SMILES notation for [2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate?
The canonical SMILES for [2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate is CC(=O)Oc1ccccc1C1OC(C)(C)C(C)(C)O1.
What is the InChIKey of [2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate?
The InChIKey is KCSNWNALFGKIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10(16)17-12-9-7-6-8-11(12)13-18-14(2,3)15(4,5)19-13/h6-9,13H,1-5H3.
What are the key properties of [2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate?
[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate has a molecular weight of 264.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl] acetate is sourced from PubChem (CID 67978627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).