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

C28H29GeNO2 — CID 164686909

IUPAC4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one
SMILESC=CC/C(=C\[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)OCC1(C)C
InChIInChI=1S/C28H29GeNO2/c1-4-14-26(30-27(31)32-22-28(30,2)3)21-29(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h4-13,15-21H,1,14,22H2,2-3H3/b26-21+
InChIKeyGRXXYLPZQSQMRF-YYADALCUSA-N
MW484.16 g/mol
LogP4.39
Rot. Bonds7

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

4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one (PubChem CID 164686909) has the molecular formula C28H29GeNO2 and a molecular weight of 484.16 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one
PubChem CID164686909
Molecular FormulaC28H29GeNO2
Molecular Weight484.16 g/mol
Exact Mass485.14
IUPAC Name4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one
SMILESC=CC/C(=C\[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)OCC1(C)C
InChIInChI=1S/C28H29GeNO2/c1-4-14-26(30-27(31)32-22-28(30,2)3)21-29(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h4-13,15-21H,1,14,22H2,2-3H3/b26-21+
InChIKeyGRXXYLPZQSQMRF-YYADALCUSA-N
XLogP4.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.16
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one (CID 164686909) is 4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one is C=CC/C(=C\[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)N1C(=O)OCC1(C)C.
What is the InChIKey of 4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is GRXXYLPZQSQMRF-YYADALCUSA-N. The full InChI is InChI=1S/C28H29GeNO2/c1-4-14-26(30-27(31)32-22-28(30,2)3)21-29(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h4-13,15-21H,1,14,22H2,2-3H3/b26-21+.
What are the key properties of 4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one?
4,4-dimethyl-3-[(1E)-1-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 484.16 g/mol, XLogP of 4.39, 7 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-triphenylgermylpenta-1,4-dien-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164686909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).