(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one

C12H14O3 — CID 129405830

IUPAC(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@](C)(c2ccccc2)O1
InChIInChI=1S/C12H14O3/c1-11(2)14-10(13)12(3,15-11)9-7-5-4-6-8-9/h4-8H,1-3H3/t12-/m0/s1
InChIKeyYNXZMAKSVGXYSS-LBPRGKRZSA-N
MW206.24 g/mol
LogP2.21
Rot. Bonds1

About (5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one

(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one (PubChem CID 129405830) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is (5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one
PubChem CID129405830
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@](C)(c2ccccc2)O1
InChIInChI=1S/C12H14O3/c1-11(2)14-10(13)12(3,15-11)9-7-5-4-6-8-9/h4-8H,1-3H3/t12-/m0/s1
InChIKeyYNXZMAKSVGXYSS-LBPRGKRZSA-N
XLogP2.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-phenyl-5-propyl-1,3-dioxolan-4-one
CID 175481481
(5R)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 69070002
2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one
CID 10733884
6-methyl-6-phenyloxane-2,3,5-trione
CID 12840341
(5S)-5-methyl-4-oxo-5-phenylfuran-2-carboxylic acid
CID 76969700
4-hydroxyimino-5-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 137242028
5-methyl-5-phenyl-3-(N-phenylanilino)-2-sulfanylidene-1,3-oxazolidin-4-one
CID 88529083
3-(dimethylamino)-5-methyl-5-phenyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 13045974
(5R)-2,2,5-trimethyl-5-phenylfuran
CID 129396442
4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
CID 86177862
4,6-dimethyl-4-phenyl-1,3-benzodioxin-2-one
CID 86245402
3-(2,5-dichlorophenyl)-4-hydroxy-5-methyl-5-phenylfuran-2-one
CID 54721464

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one?
The IUPAC name of (5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one (CID 129405830) is (5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one is CC1(C)OC(=O)[C@](C)(c2ccccc2)O1.
What is the InChIKey of (5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one?
The InChIKey is YNXZMAKSVGXYSS-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14O3/c1-11(2)14-10(13)12(3,15-11)9-7-5-4-6-8-9/h4-8H,1-3H3/t12-/m0/s1.
What are the key properties of (5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one?
(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one has a molecular weight of 206.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one is sourced from PubChem (CID 129405830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).