tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane

C28H58OS2SiSn — CID 11262081

IUPACtert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane
SMILESC=C(C[C@@H](CC1SCCCS1)O[Si](C)(C)C(C)(C)C)C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H31OS2Si.3C4H9.Sn/c1-13(2)11-14(12-15-18-9-8-10-19-15)17-20(6,7)16(3,4)5;3*1-3-4-2;/h14-15H,1-2,8-12H2,3-7H3;3*1,3-4H2,2H3;/t14-;;;;/m0..../s1
InChIKeyUGCMLITUVXIGQL-XCYGSCDUSA-N
MW621.70 g/mol
LogP10.76
Rot. Bonds17

About tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane (PubChem CID 11262081) has the molecular formula C28H58OS2SiSn and a molecular weight of 621.70 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane
PubChem CID11262081
Molecular FormulaC28H58OS2SiSn
Molecular Weight621.70 g/mol
Exact Mass622.27
IUPAC Nametert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane
SMILESC=C(C[C@@H](CC1SCCCS1)O[Si](C)(C)C(C)(C)C)C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H31OS2Si.3C4H9.Sn/c1-13(2)11-14(12-15-18-9-8-10-19-15)17-20(6,7)16(3,4)5;3*1-3-4-2;/h14-15H,1-2,8-12H2,3-7H3;3*1,3-4H2,2H3;/t14-;;;;/m0..../s1
InChIKeyUGCMLITUVXIGQL-XCYGSCDUSA-N
XLogP10.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.70
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-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-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane (CID 11262081) is tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane is C=C(C[C@@H](CC1SCCCS1)O[Si](C)(C)C(C)(C)C)C[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane?
The InChIKey is UGCMLITUVXIGQL-XCYGSCDUSA-N. The full InChI is InChI=1S/C16H31OS2Si.3C4H9.Sn/c1-13(2)11-14(12-15-18-9-8-10-19-15)17-20(6,7)16(3,4)5;3*1-3-4-2;/h14-15H,1-2,8-12H2,3-7H3;3*1,3-4H2,2H3;/t14-;;;;/m0..../s1.
What are the key properties of tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane has a molecular weight of 621.70 g/mol, XLogP of 10.76, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-(1,3-dithian-2-yl)-4-(tributylstannylmethyl)pent-4-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11262081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).