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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Related Compounds

2-(4-tert-butyl-1-methylselanylcyclohexyl)-1-phenylethanone
CID 11100236
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
2,2-dimethylpropane;diphenylmethanone
CID 159191976
(E)-3,4-dimethyl-1,6-diphenylhex-3-ene-1,6-dione
CID 175490390
2-(3-phenacyliminobutan-2-ylideneamino)-1-phenylethanone
CID 58611626
4,4-dihydroxy-1-phenylpentan-1-one
CID 163432539
1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one
CID 175131746
3-(3-tert-butyloxiran-2-yl)-1-phenylpropan-1-one
CID 86227481
1-phenacylcyclopentane-1-sulfonic acid
CID 161345529
S-phenacyl 2,2-dimethylpropanethioate
CID 161413927
3-(1,3-dioxolan-2-yl)-1-phenylpropan-1-one
CID 2758705
2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone
CID 79894178

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).