tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane

C20H37ISi — CID 102487025

IUPACtert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane
SMILESC=C(C)CCC/C(C)=C/[C@H](CC(=C)CI)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H37ISi/c1-16(2)11-10-12-17(3)13-19(14-18(4)15-21)22(8,9)20(5,6)7/h13,19H,1,4,10-12,14-15H2,2-3,5-9H3/b17-13+/t19-/m1/s1
InChIKeySWBSQLOGDUFFTM-XEYRCQSKSA-N
MW432.51 g/mol
LogP7.94
Rot. Bonds9

About tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane

tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane (PubChem CID 102487025) has the molecular formula C20H37ISi and a molecular weight of 432.51 g/mol. Its IUPAC name is tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane
PubChem CID102487025
Molecular FormulaC20H37ISi
Molecular Weight432.51 g/mol
Exact Mass432.17
IUPAC Nametert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane
SMILESC=C(C)CCC/C(C)=C/[C@H](CC(=C)CI)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H37ISi/c1-16(2)11-10-12-17(3)13-19(14-18(4)15-21)22(8,9)20(5,6)7/h13,19H,1,4,10-12,14-15H2,2-3,5-9H3/b17-13+/t19-/m1/s1
InChIKeySWBSQLOGDUFFTM-XEYRCQSKSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane 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

[(2Z,6Z,10E)-7-fluoro-13-iodo-6,11-dimethyltrideca-2,6,10-trienyl]-trimethylsilane
CID 10645896
[(E)-3-butyl-2-methyl-5-methylidenenon-2-enyl]-triethylsilane
CID 101777994
[(1Z,3Z)-2-hexyl-1,4-diiododeca-1,3-dienyl]-trimethylsilane
CID 11261306
[(5E,9E,13E)-16-iodo-6,10,14-trimethylhexadeca-5,9,13-trien-1-ynyl]-trimethylsilane
CID 11385539
[(5Z,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane
CID 11749556
[(5E,9E)-12-iodo-6,10-dimethyldodeca-5,9-dien-1-ynyl]-trimethylsilane
CID 12052001
trimethyl-[(E)-tetradec-7-en-7-yl]silane
CID 12513012
trimethyl-[(Z)-tetradec-7-en-7-yl]silane
CID 12513013
[(2E,6E)-3,6-dimethyl-8-trimethylsilylocta-2,6-dienyl]-trimethylsilane
CID 13234485
trimethyl-[(Z)-3-methyloct-2-enyl]silane
CID 14174615
dimethyl-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]silane
CID 14227308
Trimethyl-[2-(trimethylsilylmethyl)dodec-2-enyl]silane
CID 16046668

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane (CID 102487025) is tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane is C=C(C)CCC/C(C)=C/[C@H](CC(=C)CI)[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane?
The InChIKey is SWBSQLOGDUFFTM-XEYRCQSKSA-N. The full InChI is InChI=1S/C20H37ISi/c1-16(2)11-10-12-17(3)13-19(14-18(4)15-21)22(8,9)20(5,6)7/h13,19H,1,4,10-12,14-15H2,2-3,5-9H3/b17-13+/t19-/m1/s1.
What are the key properties of tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane?
tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane has a molecular weight of 432.51 g/mol, XLogP of 7.94, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S,5E)-2-(iodomethyl)-6,10-dimethylundeca-1,5,10-trien-4-yl]-dimethylsilane is sourced from PubChem (CID 102487025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).