4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one

C34H33GeNO2 — CID 164684503

IUPAC4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one
SMILESC=CC/C(=C(/c1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)OCC1(C)C
InChIInChI=1S/C34H33GeNO2/c1-4-17-31(36-33(37)38-26-34(36,2)3)32(27-18-9-5-10-19-27)35(28-20-11-6-12-21-28,29-22-13-7-14-23-29)30-24-15-8-16-25-30/h4-16,18-25H,1,17,26H2,2-3H3/b32-31+
InChIKeyGHAOEDCXKUYMOY-QNEJGDQOSA-N
MW560.25 g/mol
LogP5.91
Rot. Bonds8

About 4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one

4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one (PubChem CID 164684503) has the molecular formula C34H33GeNO2 and a molecular weight of 560.25 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one
PubChem CID164684503
Molecular FormulaC34H33GeNO2
Molecular Weight560.25 g/mol
Exact Mass561.17
IUPAC Name4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one
SMILESC=CC/C(=C(/c1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)OCC1(C)C
InChIInChI=1S/C34H33GeNO2/c1-4-17-31(36-33(37)38-26-34(36,2)3)32(27-18-9-5-10-19-27)35(28-20-11-6-12-21-28,29-22-13-7-14-23-29)30-24-15-8-16-25-30/h4-16,18-25H,1,17,26H2,2-3H3/b32-31+
InChIKeyGHAOEDCXKUYMOY-QNEJGDQOSA-N
XLogP5.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.25
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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
4,4-dimethyl-3-[(E)-1-(3-oxocyclohexyl)-2-triphenylgermylethenyl]-1,3-oxazolidin-2-one
CID 164684504
ZINC;4,4-dimethyl-3-(2-phenyl-2-triphenylgermylethenyl)-1,3-oxazolidin-2-one;ethane
CID 164684506
4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one
CID 164686909
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 4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one (CID 164684503) is 4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one is C=CC/C(=C(/c1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)OCC1(C)C.
What is the InChIKey of 4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is GHAOEDCXKUYMOY-QNEJGDQOSA-N. The full InChI is InChI=1S/C34H33GeNO2/c1-4-17-31(36-33(37)38-26-34(36,2)3)32(27-18-9-5-10-19-27)35(28-20-11-6-12-21-28,29-22-13-7-14-23-29)30-24-15-8-16-25-30/h4-16,18-25H,1,17,26H2,2-3H3/b32-31+.
What are the key properties of 4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one?
4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 560.25 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(1E)-1-phenyl-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164684503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).