2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone

C18H26O3 — CID 114622575

IUPAC2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
SMILESCCOC(C(=O)C1CC(C)(C)OC1(C)C)c1ccccc1
InChIInChI=1S/C18H26O3/c1-6-20-16(13-10-8-7-9-11-13)15(19)14-12-17(2,3)21-18(14,4)5/h7-11,14,16H,6,12H2,1-5H3
InChIKeyGBCAVFVNBLNWTH-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.93
Rot. Bonds5

About 2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone

2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone (PubChem CID 114622575) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
PubChem CID114622575
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
SMILESCCOC(C(=O)C1CC(C)(C)OC1(C)C)c1ccccc1
InChIInChI=1S/C18H26O3/c1-6-20-16(13-10-8-7-9-11-13)15(19)14-12-17(2,3)21-18(14,4)5/h7-11,14,16H,6,12H2,1-5H3
InChIKeyGBCAVFVNBLNWTH-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622770
2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300
2-ethoxy-1,2-diphenylethanone;propane
CID 174923231
1-(6,6-dimethoxycyclohexa-2,4-dien-1-yl)-2-ethoxy-2-phenylethanone
CID 150274998
2-(2-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114622364
2-hydroxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 103456074
1-ethoxy-1-phenylpent-4-yn-2-one
CID 116751695
2-ethoxy-N-[2-(methylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 119500210
butan-2-yl 2-ethoxy-2-phenylacetate
CID 118039785
2-ethyl-2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 114622560
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 120657713
3-(furan-2-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 105134916

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The IUPAC name of 2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone (CID 114622575) is 2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone.
What is the SMILES notation for 2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The canonical SMILES for 2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone is CCOC(C(=O)C1CC(C)(C)OC1(C)C)c1ccccc1.
What is the InChIKey of 2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
The InChIKey is GBCAVFVNBLNWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-6-20-16(13-10-8-7-9-11-13)15(19)14-12-17(2,3)21-18(14,4)5/h7-11,14,16H,6,12H2,1-5H3.
What are the key properties of 2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone?
2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone has a molecular weight of 290.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone is sourced from PubChem (CID 114622575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).