2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one

C19H20O4 — CID 10733884

IUPAC2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)C(COCc2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H20O4/c1-18(2)22-17(20)19(23-18,16-11-7-4-8-12-16)14-21-13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKeyRBPIYTWRPIIONL-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.41
Rot. Bonds5

About 2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one

2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one (PubChem CID 10733884) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one.

Molecular Properties

Compound Name2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one
PubChem CID10733884
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)C(COCc2ccccc2)(c2ccccc2)O1
InChIInChI=1S/C19H20O4/c1-18(2)22-17(20)19(23-18,16-11-7-4-8-12-16)14-21-13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKeyRBPIYTWRPIIONL-UHFFFAOYSA-N
XLogP3.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-5-phenyl-5-propyl-1,3-dioxolan-4-one
CID 175481481
5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 172801831
(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one
CID 176589467
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 153175222
2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole
CID 141089313
ethane;phenylmethoxymethylbenzene
CID 90943549
6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a-(phenylmethoxymethyl)-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
CID 123850397
4-(iodomethyl)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxole
CID 141198603
6-(2-hydroxy-3-phenylmethoxypropyl)-2,2-dimethyl-1,3-dioxin-4-one
CID 15062403
[(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene
CID 164670270
(1S,2R,6R,7R)-2-methyl-7-(phenylmethoxymethyl)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 10850892

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one?
The IUPAC name of 2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one (CID 10733884) is 2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one.
What is the SMILES notation for 2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one?
The canonical SMILES for 2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one is CC1(C)OC(=O)C(COCc2ccccc2)(c2ccccc2)O1.
What is the InChIKey of 2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one?
The InChIKey is RBPIYTWRPIIONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-18(2)22-17(20)19(23-18,16-11-7-4-8-12-16)14-21-13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one?
2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one has a molecular weight of 312.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-phenyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-one is sourced from PubChem (CID 10733884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).