tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane

C15H29IO3Si — CID 10764146

IUPACtert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane
SMILESC=C[C@H]1OC(C)(C)O[C@H]1[C@H](CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29IO3Si/c1-9-11-13(18-15(5,6)17-11)12(10-16)19-20(7,8)14(2,3)4/h9,11-13H,1,10H2,2-8H3/t11-,12+,13-/m1/s1
InChIKeyIBTFSVYEYGPQHP-FRRDWIJNSA-N
MW412.38 g/mol
LogP4.52
Rot. Bonds5

About tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane

tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane (PubChem CID 10764146) has the molecular formula C15H29IO3Si and a molecular weight of 412.38 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane
PubChem CID10764146
Molecular FormulaC15H29IO3Si
Molecular Weight412.38 g/mol
Exact Mass412.09
IUPAC Nametert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane
SMILESC=C[C@H]1OC(C)(C)O[C@H]1[C@H](CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29IO3Si/c1-9-11-13(18-15(5,6)17-11)12(10-16)19-20(7,8)14(2,3)4/h9,11-13H,1,10H2,2-8H3/t11-,12+,13-/m1/s1
InChIKeyIBTFSVYEYGPQHP-FRRDWIJNSA-N
XLogP4.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-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

tert-butyl-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 13846571
tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane
CID 14188258
tert-butyl-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 49793489
[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-triethylsilane
CID 134851327
tert-butyl-[[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11043922
tert-butyl-[[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 90075137
triethyl-[(2S,3S,4R)-1-iodo-2,4-bis(methoxymethoxy)hex-5-en-3-yl]oxysilane
CID 162517829
tert-butyl-[[(4R,5R)-5-[(Z)-2-methoxyethenyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 173641365
tert-butyl-[[(4R,5R)-5-(2-methoxyethenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 173641366
tert-butyl-[[(4R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 174096809
tert-butyl-[(2R,3R,4R)-2-ethenyl-4-methoxyoxolan-3-yl]oxy-dimethylsilane
CID 178070071
tert-butyl-[(Z)-5-iodo-3-(methoxymethoxy)pent-4-enoxy]-dimethylsilane
CID 10407781

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane (CID 10764146) is tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane is C=C[C@H]1OC(C)(C)O[C@H]1[C@H](CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane?
The InChIKey is IBTFSVYEYGPQHP-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H29IO3Si/c1-9-11-13(18-15(5,6)17-11)12(10-16)19-20(7,8)14(2,3)4/h9,11-13H,1,10H2,2-8H3/t11-,12+,13-/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane?
tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane has a molecular weight of 412.38 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-iodoethoxy]-dimethylsilane is sourced from PubChem (CID 10764146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).