2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone

C15H20O3 — CID 14491690

IUPAC2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone
SMILESCC(C)(C)C1(CC(=O)c2ccccc2)OCCO1
InChIInChI=1S/C15H20O3/c1-14(2,3)15(17-9-10-18-15)11-13(16)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyBNCFWZCBHYQZSF-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.05
Rot. Bonds3

About 2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone

2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone (PubChem CID 14491690) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone
PubChem CID14491690
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone
SMILESCC(C)(C)C1(CC(=O)c2ccccc2)OCCO1
InChIInChI=1S/C15H20O3/c1-14(2,3)15(17-9-10-18-15)11-13(16)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyBNCFWZCBHYQZSF-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone?
The IUPAC name of 2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone (CID 14491690) is 2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone?
The canonical SMILES for 2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone is CC(C)(C)C1(CC(=O)c2ccccc2)OCCO1.
What is the InChIKey of 2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone?
The InChIKey is BNCFWZCBHYQZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(2,3)15(17-9-10-18-15)11-13(16)12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of 2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone?
2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone has a molecular weight of 248.32 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-dioxolan-2-yl)-1-phenylethanone is sourced from PubChem (CID 14491690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).