4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one

C31H33GeNO3 — CID 164684504

IUPAC4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1/C(=C/[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCC(=O)C1
InChIInChI=1S/C31H33GeNO3/c1-31(2)23-36-30(35)33(31)29(24-13-12-20-28(34)21-24)22-32(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,14-19,22,24H,12-13,20-21,23H2,1-2H3/b29-22+
InChIKeyYVTLUEXVGRBWPK-QUPMIFSKSA-N
MW540.22 g/mol
LogP4.57
Rot. Bonds6

About 4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one

4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one (PubChem CID 164684504) has the molecular formula C31H33GeNO3 and a molecular weight of 540.22 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one
PubChem CID164684504
Molecular FormulaC31H33GeNO3
Molecular Weight540.22 g/mol
Exact Mass541.17
IUPAC Name4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one
SMILESCC1(C)COC(=O)N1/C(=C/[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCC(=O)C1
InChIInChI=1S/C31H33GeNO3/c1-31(2)23-36-30(35)33(31)29(24-13-12-20-28(34)21-24)22-32(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,14-19,22,24H,12-13,20-21,23H2,1-2H3/b29-22+
InChIKeyYVTLUEXVGRBWPK-QUPMIFSKSA-N
XLogP4.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.22
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one (CID 164684504) is 4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one is CC1(C)COC(=O)N1/C(=C/[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCC(=O)C1.
What is the InChIKey of 4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is YVTLUEXVGRBWPK-QUPMIFSKSA-N. The full InChI is InChI=1S/C31H33GeNO3/c1-31(2)23-36-30(35)33(31)29(24-13-12-20-28(34)21-24)22-32(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,14-19,22,24H,12-13,20-21,23H2,1-2H3/b29-22+.
What are the key properties of 4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one?
4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one has a molecular weight of 540.22 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164684504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).