tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane

C21H44O3SSi2 — CID 10002958

IUPACtert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC(CC1=CCCCS1)OCOCC[Si](C)(C)C
InChIInChI=1S/C21H44O3SSi2/c1-21(2,3)27(7,8)24-13-12-19(17-20-11-9-10-15-25-20)23-18-22-14-16-26(4,5)6/h11,19H,9-10,12-18H2,1-8H3
InChIKeyYWMXMXZBQBIKIT-UHFFFAOYSA-N
MW432.82 g/mol
LogP6.90
Rot. Bonds12

About tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane

tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane (PubChem CID 10002958) has the molecular formula C21H44O3SSi2 and a molecular weight of 432.82 g/mol. Its IUPAC name is tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane
PubChem CID10002958
Molecular FormulaC21H44O3SSi2
Molecular Weight432.82 g/mol
Exact Mass432.25
IUPAC Nametert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCC(CC1=CCCCS1)OCOCC[Si](C)(C)C
InChIInChI=1S/C21H44O3SSi2/c1-21(2,3)27(7,8)24-13-12-19(17-20-11-9-10-15-25-20)23-18-22-14-16-26(4,5)6/h11,19H,9-10,12-18H2,1-8H3
InChIKeyYWMXMXZBQBIKIT-UHFFFAOYSA-N
XLogP6.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.82
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane 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 tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane (CID 10002958) is tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCC(CC1=CCCCS1)OCOCC[Si](C)(C)C.
What is the InChIKey of tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane?
The InChIKey is YWMXMXZBQBIKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3SSi2/c1-21(2,3)27(7,8)24-13-12-19(17-20-11-9-10-15-25-20)23-18-22-14-16-26(4,5)6/h11,19H,9-10,12-18H2,1-8H3.
What are the key properties of tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane?
tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane has a molecular weight of 432.82 g/mol, XLogP of 6.90, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(3,4-dihydro-2H-thiopyran-6-yl)-3-(2-trimethylsilylethoxymethoxy)butoxy]-dimethylsilane is sourced from PubChem (CID 10002958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).