(2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate

C20H20O4 — CID 132837270

IUPAC(2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate
SMILESCC(=O)OCC1(C)CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C20H20O4/c1-15(21)23-14-19(2)13-20(18(22)24-19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
InChIKeyJVCUCIBKYPXUKR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.24
Rot. Bonds4

About (2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate

(2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate (PubChem CID 132837270) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate.

Molecular Properties

Compound Name(2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate
PubChem CID132837270
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate
SMILESCC(=O)OCC1(C)CC(c2ccccc2)(c2ccccc2)C(=O)O1
InChIInChI=1S/C20H20O4/c1-15(21)23-14-19(2)13-20(18(22)24-19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
InChIKeyJVCUCIBKYPXUKR-UHFFFAOYSA-N
XLogP3.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyloxiran-2-yl)methyl acetate
CID 10103200
[(1R,2R)-2-methyl-1-phenylcyclopentyl]methyl acetate
CID 102001590
(5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate
CID 155926943
[(2R,5S)-5-(acetyloxymethyl)-2,5-dimethyloxolan-2-yl]methyl acetate
CID 10490483
(2-phenylpiperidin-2-yl)methyl acetate
CID 141381803
(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl benzoate
CID 163980482
[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methyl acetate
CID 11106100
(1R)-1-methyl-2,2-diphenylcyclopropane-1-carboxamide
CID 86339419
(3-methyl-2H-1-benzothiophen-3-yl)methyl acetate
CID 101121699
2-phenylethyl acetate
CID 7654
1-(5-methyl-2,2-diphenyl-1,3-dioxan-5-yl)ethanone
CID 90221549
3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate?
The IUPAC name of (2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate (CID 132837270) is (2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate.
What is the SMILES notation for (2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate?
The canonical SMILES for (2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate is CC(=O)OCC1(C)CC(c2ccccc2)(c2ccccc2)C(=O)O1.
What is the InChIKey of (2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate?
The InChIKey is JVCUCIBKYPXUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-15(21)23-14-19(2)13-20(18(22)24-19,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3.
What are the key properties of (2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate?
(2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate has a molecular weight of 324.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-oxo-4,4-diphenyloxolan-2-yl)methyl acetate is sourced from PubChem (CID 132837270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).