tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane

C15H31IO2Si2 — CID 11026310

IUPACtert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(I)C(O[Si](C)(C)C)CC1
InChIInChI=1S/C15H31IO2Si2/c1-15(2,3)20(7,8)17-12-9-10-14(13(16)11-12)18-19(4,5)6/h11-12,14H,9-10H2,1-8H3
InChIKeyMXAPDYCPBQYKLA-UHFFFAOYSA-N
MW426.49 g/mol
LogP5.71
Rot. Bonds4

About tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane

tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane (PubChem CID 11026310) has the molecular formula C15H31IO2Si2 and a molecular weight of 426.49 g/mol. Its IUPAC name is tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane
PubChem CID11026310
Molecular FormulaC15H31IO2Si2
Molecular Weight426.49 g/mol
Exact Mass426.09
IUPAC Nametert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1C=C(I)C(O[Si](C)(C)C)CC1
InChIInChI=1S/C15H31IO2Si2/c1-15(2,3)20(7,8)17-12-9-10-14(13(16)11-12)18-19(4,5)6/h11-12,14H,9-10H2,1-8H3
InChIKeyMXAPDYCPBQYKLA-UHFFFAOYSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.49
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-yl]methanol
CID 11164051
(3-bromocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 72711441
tert-butyl-[(1R,4R)-4-chlorocyclohex-2-en-1-yl]oxy-dimethylsilane
CID 10658111
[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol
CID 46193781
(3-bromo-2-iodocyclopent-2-en-1-yl)oxy-tert-butyl-dimethylsilane
CID 11697037
(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 24865686
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
CID 15418774
tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane
CID 15630112
(4R,7aS)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodo-1,4,5,6,7,7a-hexahydroinden-2-one
CID 12013199
(1S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-iodocyclopent-2-ene-1-carbonitrile
CID 10961835
tert-butyl-[4-[4-[tert-butyl(dimethyl)silyl]oxycyclohexen-1-yl]oxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 142783605

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane (CID 11026310) is tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC1C=C(I)C(O[Si](C)(C)C)CC1.
What is the InChIKey of tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane?
The InChIKey is MXAPDYCPBQYKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31IO2Si2/c1-15(2,3)20(7,8)17-12-9-10-14(13(16)11-12)18-19(4,5)6/h11-12,14H,9-10H2,1-8H3.
What are the key properties of tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane?
tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane has a molecular weight of 426.49 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-iodo-4-trimethylsilyloxycyclohex-2-en-1-yl)oxy-dimethylsilane is sourced from PubChem (CID 11026310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).