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

C27H29GeNO2Zn — CID 164686910

IUPACzinc;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane
SMILESCC1(C)COC(=O)N1/[C-]=C/[Ge](c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-]C.[Zn+2]
InChIInChI=1S/C25H24GeNO2.C2H5.Zn/c1-25(2)20-29-24(28)27(25)19-18-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-2;/h3-18H,20H2,1-2H3;1H2,2H3;/q2*-1;+2
InChIKeyPBVVTLNTCXFYHW-UHFFFAOYSA-N
MW537.53 g/mol
LogP4.08
Rot. Bonds5

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

zinc;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane (PubChem CID 164686910) has the molecular formula C27H29GeNO2Zn and a molecular weight of 537.53 g/mol. Its IUPAC name is zinc;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane.

Molecular Properties

Compound Namezinc;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane
PubChem CID164686910
Molecular FormulaC27H29GeNO2Zn
Molecular Weight537.53 g/mol
Exact Mass537.07
IUPAC Namezinc;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane
SMILESCC1(C)COC(=O)N1/[C-]=C/[Ge](c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-]C.[Zn+2]
InChIInChI=1S/C25H24GeNO2.C2H5.Zn/c1-25(2)20-29-24(28)27(25)19-18-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-2;/h3-18H,20H2,1-2H3;1H2,2H3;/q2*-1;+2
InChIKeyPBVVTLNTCXFYHW-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.53
LogP ≤ 54.08
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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Frequently Asked Questions

What is the IUPAC name of zinc;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane?
The IUPAC name of zinc;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane (CID 164686910) is zinc;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane.
What is the SMILES notation for zinc;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane?
The canonical SMILES for zinc;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane is CC1(C)COC(=O)N1/[C-]=C/[Ge](c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-]C.[Zn+2].
What is the InChIKey of zinc;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane?
The InChIKey is PBVVTLNTCXFYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24GeNO2.C2H5.Zn/c1-25(2)20-29-24(28)27(25)19-18-26(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-2;/h3-18H,20H2,1-2H3;1H2,2H3;/q2*-1;+2.
What are the key properties of zinc;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane?
zinc;4,4-dimethyl-3-(2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane has a molecular weight of 537.53 g/mol, XLogP of 4.08, 5 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-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane is sourced from PubChem (CID 164686910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).