tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane

C25H53IO2Si2 — CID 11489978

IUPACtert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane
SMILESC/C=C/[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)[C@H](CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H53IO2Si2/c1-15-16-22(28-30(19(2)3,20(4)5)21(6)7)25(11,12)23(17-18-26)27-29(13,14)24(8,9)10/h15-16,19-23H,17-18H2,1-14H3/b16-15+/t22-,23-/m0/s1
InChIKeyOPTIRVSCHCADIN-DWLLYVLZSA-N
MW568.77 g/mol
LogP9.36
Rot. Bonds12

About tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane (PubChem CID 11489978) has the molecular formula C25H53IO2Si2 and a molecular weight of 568.77 g/mol. Its IUPAC name is tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane
PubChem CID11489978
Molecular FormulaC25H53IO2Si2
Molecular Weight568.77 g/mol
Exact Mass568.26
IUPAC Nametert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane
SMILESC/C=C/[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)[C@H](CCI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H53IO2Si2/c1-15-16-22(28-30(19(2)3,20(4)5)21(6)7)25(11,12)23(17-18-26)27-29(13,14)24(8,9)10/h15-16,19-23H,17-18H2,1-14H3/b16-15+/t22-,23-/m0/s1
InChIKeyOPTIRVSCHCADIN-DWLLYVLZSA-N
XLogP9.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.77
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

tert-butyl-[(E,2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-5-methyloct-6-en-2-yl]oxy-dimethylsilane
CID 24756021
tert-butyl-[(1S,3S)-5-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxypentoxy]-dimethylsilane
CID 134938743
tert-butyl-[(Z,1S,3S)-6-iodo-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 138977255
(1Z,4S,6S,7E)-6-[tert-butyl(dimethyl)silyl]oxy-1-iodo-5,5-dimethylnona-1,7-dien-4-ol
CID 101897818
tert-butyl-[(4S,5E,7S,8R,9E)-7-ethyl-10-iodo-5,9-dimethyl-8-triethylsilyloxydeca-1,5,9-trien-4-yl]oxy-dimethylsilane
CID 102503133
tert-butyl-[(1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 134951609
tert-butyl-[2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-ethenylcyclohex-2-en-1-yl]ethoxy]-dimethylsilane
CID 135003639
tert-butyl-[[1-[(Z)-5-[tert-butyl(dimethyl)silyl]oxy-4-iodopent-3-enyl]cyclohexa-2,5-dien-1-yl]methoxy]-dimethylsilane
CID 135076183
(1-Iodo-5,5-dimethylnon-2-en-4-yl)oxy-trimethylsilane
CID 54064035
tert-butyl-[(Z,2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-5-methyloct-6-en-2-yl]oxy-dimethylsilane
CID 89570836
6-[Tert-butyl(dimethyl)silyl]oxy-5,5-dimethyloct-2-en-4-ol
CID 91552534
Tert-butyl((3-iodo-6,6-dimethylcyclohex-2-en-1-yl)oxy)dimethylsilane
CID 131747683

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane (CID 11489978) is tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane is C/C=C/[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)[C@H](CCI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane?
The InChIKey is OPTIRVSCHCADIN-DWLLYVLZSA-N. The full InChI is InChI=1S/C25H53IO2Si2/c1-15-16-22(28-30(19(2)3,20(4)5)21(6)7)25(11,12)23(17-18-26)27-29(13,14)24(8,9)10/h15-16,19-23H,17-18H2,1-14H3/b16-15+/t22-,23-/m0/s1.
What are the key properties of tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane has a molecular weight of 568.77 g/mol, XLogP of 9.36, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3S,5S)-1-iodo-4,4-dimethyl-5-tri(propan-2-yl)silyloxyoct-6-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11489978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).