tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane

C20H41IOSi — CID 58346378

IUPACtert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane
SMILESCC/C=C\C(C)[C@H](C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CI
InChIInChI=1S/C20H41IOSi/c1-11-12-13-15(2)17(4)18(5)19(16(3)14-21)22-23(9,10)20(6,7)8/h12-13,15-19H,11,14H2,1-10H3/b13-12-/t15?,16-,17-,18+,19+/m0/s1
InChIKeyHDLIOMBBJVKVOS-JJBFNQDDSA-N
MW452.54 g/mol
LogP7.32
Rot. Bonds9

About tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane

tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane (PubChem CID 58346378) has the molecular formula C20H41IOSi and a molecular weight of 452.54 g/mol. Its IUPAC name is tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane
PubChem CID58346378
Molecular FormulaC20H41IOSi
Molecular Weight452.54 g/mol
Exact Mass452.20
IUPAC Nametert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane
SMILESCC/C=C\C(C)[C@H](C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CI
InChIInChI=1S/C20H41IOSi/c1-11-12-13-15(2)17(4)18(5)19(16(3)14-21)22-23(9,10)20(6,7)8/h12-13,15-19H,11,14H2,1-10H3/b13-12-/t15?,16-,17-,18+,19+/m0/s1
InChIKeyHDLIOMBBJVKVOS-JJBFNQDDSA-N
XLogP7.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.54
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-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-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane (CID 58346378) is tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane is CC/C=C\C(C)[C@H](C)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CI.
What is the InChIKey of tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane?
The InChIKey is HDLIOMBBJVKVOS-JJBFNQDDSA-N. The full InChI is InChI=1S/C20H41IOSi/c1-11-12-13-15(2)17(4)18(5)19(16(3)14-21)22-23(9,10)20(6,7)8/h12-13,15-19H,11,14H2,1-10H3/b13-12-/t15?,16-,17-,18+,19+/m0/s1.
What are the key properties of tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane has a molecular weight of 452.54 g/mol, XLogP of 7.32, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,2R,3S,4R,5S)-1-iodo-2,4,5,6-tetramethyldec-7-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 58346378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).