2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone

C20H32O2S2Si — CID 11079819

IUPAC2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone
SMILESCC(C)(C)[Si](C)(C)OCCC1(CC(=O)c2ccccc2)SCCCS1
InChIInChI=1S/C20H32O2S2Si/c1-19(2,3)25(4,5)22-13-12-20(23-14-9-15-24-20)16-18(21)17-10-7-6-8-11-17/h6-8,10-11H,9,12-16H2,1-5H3
InChIKeyVYRVMTQZOKQREE-UHFFFAOYSA-N
MW396.69 g/mol
LogP6.24
Rot. Bonds7

About 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone

2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone (PubChem CID 11079819) has the molecular formula C20H32O2S2Si and a molecular weight of 396.69 g/mol. Its IUPAC name is 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone
PubChem CID11079819
Molecular FormulaC20H32O2S2Si
Molecular Weight396.69 g/mol
Exact Mass396.16
IUPAC Name2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone
SMILESCC(C)(C)[Si](C)(C)OCCC1(CC(=O)c2ccccc2)SCCCS1
InChIInChI=1S/C20H32O2S2Si/c1-19(2,3)25(4,5)22-13-12-20(23-14-9-15-24-20)16-18(21)17-10-7-6-8-11-17/h6-8,10-11H,9,12-16H2,1-5H3
InChIKeyVYRVMTQZOKQREE-UHFFFAOYSA-N
XLogP6.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.69
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone with MolForge

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

Launch Full Analysis

Related Compounds

[5-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-thiopyran-2-yl]-phenylmethanone
CID 12896576
[4-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydro-2H-thiopyran-2-yl]-phenylmethanone
CID 12896584
2-[Tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-phenylsulfanylethanone
CID 13352517
[(2S,3R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxythiolan-2-yl]-phenylmethanone
CID 15605758
O-butan-2-yl [4-(4-methylphenyl)-4-oxo-1-trimethylsilylbutyl]sulfanylmethanethioate
CID 102230645
O-butan-2-yl (4-oxo-4-phenyl-1-trimethylsilylbutyl)sulfanylmethanethioate
CID 102230647
O-butan-2-yl (3-methyl-4-oxo-4-phenyl-1-trimethylsilylbutyl)sulfanylmethanethioate
CID 102230648
S-[(E)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidenepent-4-en-2-yl] benzenecarbothioate
CID 134982849
2-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone
CID 138973376
2-(2-Butyl-1,3-dithian-2-yl)-1-phenylethanone
CID 138973393
6-[Tert-butyl(dimethyl)silyl]oxy-3-ethenyl-1-phenylhexan-1-one
CID 176427514
O-ethyl [5-(4-fluorophenyl)-5-oxo-1-trimethylsilylpentan-2-yl]sulfanylmethanethioate
CID 11234124

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone?
The IUPAC name of 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone (CID 11079819) is 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone is CC(C)(C)[Si](C)(C)OCCC1(CC(=O)c2ccccc2)SCCCS1.
What is the InChIKey of 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone?
The InChIKey is VYRVMTQZOKQREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O2S2Si/c1-19(2,3)25(4,5)22-13-12-20(23-14-9-15-24-20)16-18(21)17-10-7-6-8-11-17/h6-8,10-11H,9,12-16H2,1-5H3.
What are the key properties of 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone?
2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone has a molecular weight of 396.69 g/mol, XLogP of 6.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dithian-2-yl]-1-phenylethanone is sourced from PubChem (CID 11079819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).