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

C19H30O2S2Si — CID 138973376

IUPAC2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone
SMILESCC(C)(C)[Si](C)(C)OCC1(CC(=O)c2ccccc2)SCCCS1
InChIInChI=1S/C19H30O2S2Si/c1-18(2,3)24(4,5)21-15-19(22-12-9-13-23-19)14-17(20)16-10-7-6-8-11-16/h6-8,10-11H,9,12-15H2,1-5H3
InChIKeyUFDGCNFOHOVEPC-UHFFFAOYSA-N
MW382.67 g/mol
LogP5.85
Rot. Bonds6

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

2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone (PubChem CID 138973376) has the molecular formula C19H30O2S2Si and a molecular weight of 382.67 g/mol. Its IUPAC name is 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone
PubChem CID138973376
Molecular FormulaC19H30O2S2Si
Molecular Weight382.67 g/mol
Exact Mass382.15
IUPAC Name2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone
SMILESCC(C)(C)[Si](C)(C)OCC1(CC(=O)c2ccccc2)SCCCS1
InChIInChI=1S/C19H30O2S2Si/c1-18(2,3)24(4,5)21-15-19(22-12-9-13-23-19)14-17(20)16-10-7-6-8-11-16/h6-8,10-11H,9,12-15H2,1-5H3
InChIKeyUFDGCNFOHOVEPC-UHFFFAOYSA-N
XLogP5.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.67
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone?
The IUPAC name of 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone (CID 138973376) is 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone is CC(C)(C)[Si](C)(C)OCC1(CC(=O)c2ccccc2)SCCCS1.
What is the InChIKey of 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone?
The InChIKey is UFDGCNFOHOVEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2S2Si/c1-18(2,3)24(4,5)21-15-19(22-12-9-13-23-19)14-17(20)16-10-7-6-8-11-16/h6-8,10-11H,9,12-15H2,1-5H3.
What are the key properties of 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone?
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone has a molecular weight of 382.67 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-dithian-2-yl]-1-phenylethanone is sourced from PubChem (CID 138973376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).