tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane

C19H34OS2Si — CID 139252757

IUPACtert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane
SMILESC#CC(CC1(CCCC=C)SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OS2Si/c1-8-10-11-13-19(21-14-12-15-22-19)16-17(9-2)20-23(6,7)18(3,4)5/h2,8,17H,1,10-16H2,3-7H3
InChIKeyQPBIDUNUVMDUNG-UHFFFAOYSA-N
MW370.70 g/mol
LogP6.32
Rot. Bonds8

About tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane

tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane (PubChem CID 139252757) has the molecular formula C19H34OS2Si and a molecular weight of 370.70 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane
PubChem CID139252757
Molecular FormulaC19H34OS2Si
Molecular Weight370.70 g/mol
Exact Mass370.18
IUPAC Nametert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane
SMILESC#CC(CC1(CCCC=C)SCCCS1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OS2Si/c1-8-10-11-13-19(21-14-12-15-22-19)16-17(9-2)20-23(6,7)18(3,4)5/h2,8,17H,1,10-16H2,3-7H3
InChIKeyQPBIDUNUVMDUNG-UHFFFAOYSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.70
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane 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-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane?
The IUPAC name of tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane (CID 139252757) is tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane is C#CC(CC1(CCCC=C)SCCCS1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane?
The InChIKey is QPBIDUNUVMDUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34OS2Si/c1-8-10-11-13-19(21-14-12-15-22-19)16-17(9-2)20-23(6,7)18(3,4)5/h2,8,17H,1,10-16H2,3-7H3.
What are the key properties of tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane?
tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane has a molecular weight of 370.70 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(2-pent-4-enyl-1,3-dithian-2-yl)but-3-yn-2-yloxy]silane is sourced from PubChem (CID 139252757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).