2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one

C27H38O5SSi2 — CID 70478367

IUPAC2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one
SMILESCC(C)(O[Si](C)(C)C)C(=O)c1ccc2c(c1)Cc1cc(C(=O)C(C)(C)O[Si](C)(C)C)ccc1S2=O
InChIInChI=1S/C27H38O5SSi2/c1-26(2,31-34(5,6)7)24(28)18-11-13-22-20(15-18)17-21-16-19(12-14-23(21)33(22)30)25(29)27(3,4)32-35(8,9)10/h11-16H,17H2,1-10H3
InChIKeyWVMCNLQSJLPSHH-UHFFFAOYSA-N
MW530.84 g/mol
LogP6.38
Rot. Bonds8

About 2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one

2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one (PubChem CID 70478367) has the molecular formula C27H38O5SSi2 and a molecular weight of 530.84 g/mol. Its IUPAC name is 2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one
PubChem CID70478367
Molecular FormulaC27H38O5SSi2
Molecular Weight530.84 g/mol
Exact Mass530.20
IUPAC Name2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one
SMILESCC(C)(O[Si](C)(C)C)C(=O)c1ccc2c(c1)Cc1cc(C(=O)C(C)(C)O[Si](C)(C)C)ccc1S2=O
InChIInChI=1S/C27H38O5SSi2/c1-26(2,31-34(5,6)7)24(28)18-11-13-22-20(15-18)17-21-16-19(12-14-23(21)33(22)30)25(29)27(3,4)32-35(8,9)10/h11-16H,17H2,1-10H3
InChIKeyWVMCNLQSJLPSHH-UHFFFAOYSA-N
XLogP6.38
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.84
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one?
The IUPAC name of 2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one (CID 70478367) is 2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one.
What is the SMILES notation for 2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one?
The canonical SMILES for 2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one is CC(C)(O[Si](C)(C)C)C(=O)c1ccc2c(c1)Cc1cc(C(=O)C(C)(C)O[Si](C)(C)C)ccc1S2=O.
What is the InChIKey of 2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one?
The InChIKey is WVMCNLQSJLPSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38O5SSi2/c1-26(2,31-34(5,6)7)24(28)18-11-13-22-20(15-18)17-21-16-19(12-14-23(21)33(22)30)25(29)27(3,4)32-35(8,9)10/h11-16H,17H2,1-10H3.
What are the key properties of 2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one?
2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one has a molecular weight of 530.84 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[7-(2-methyl-2-trimethylsilyloxypropanoyl)-10-oxo-9H-thioxanthen-2-yl]-2-trimethylsilyloxypropan-1-one is sourced from PubChem (CID 70478367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).