zinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane

C33H33GeNO2Zn — CID 164684506

IUPACzinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane
SMILESCC1(C)COC(=O)N1/[C-]=C(/c1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-]C.[Zn+2]
InChIInChI=1S/C31H28GeNO2.C2H5.Zn/c1-31(2)24-35-30(34)33(31)23-29(25-15-7-3-8-16-25)32(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28;1-2;/h3-22H,24H2,1-2H3;1H2,2H3;/q2*-1;+2
InChIKeyGICWDMGVSRGPGO-UHFFFAOYSA-N
MW613.63 g/mol
LogP5.61
Rot. Bonds6

About zinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane

zinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane (PubChem CID 164684506) has the molecular formula C33H33GeNO2Zn and a molecular weight of 613.63 g/mol. Its IUPAC name is zinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane.

Molecular Properties

Compound Namezinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane
PubChem CID164684506
Molecular FormulaC33H33GeNO2Zn
Molecular Weight613.63 g/mol
Exact Mass613.10
IUPAC Namezinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane
SMILESCC1(C)COC(=O)N1/[C-]=C(/c1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-]C.[Zn+2]
InChIInChI=1S/C31H28GeNO2.C2H5.Zn/c1-31(2)24-35-30(34)33(31)23-29(25-15-7-3-8-16-25)32(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28;1-2;/h3-22H,24H2,1-2H3;1H2,2H3;/q2*-1;+2
InChIKeyGICWDMGVSRGPGO-UHFFFAOYSA-N
XLogP5.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.63
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-3-[(E)-2-phenyl-1-triphenylsilyloxyethenyl]-1,3-oxazolidin-2-one
CID 139254692
3-[(E)-2-cyclohexyl-1-triphenylsilyloxyethenyl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 139254693
4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one
CID 164684503
ZINC;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane
CID 164686910
3-[(E)-1,4-diphenyl-1-triphenylgermylbut-1-en-3-yn-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 164686912
3-[(E)-2-phenyl-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one
CID 168336465
4,4-Dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one
CID 164684507

Frequently Asked Questions

What is the IUPAC name of zinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane?
The IUPAC name of zinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane (CID 164684506) is zinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane.
What is the SMILES notation for zinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane?
The canonical SMILES for zinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane is CC1(C)COC(=O)N1/[C-]=C(/c1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-]C.[Zn+2].
What is the InChIKey of zinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane?
The InChIKey is GICWDMGVSRGPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28GeNO2.C2H5.Zn/c1-31(2)24-35-30(34)33(31)23-29(25-15-7-3-8-16-25)32(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28;1-2;/h3-22H,24H2,1-2H3;1H2,2H3;/q2*-1;+2.
What are the key properties of zinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane?
zinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane has a molecular weight of 613.63 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane is sourced from PubChem (CID 164684506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).