tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane

C19H39IO2Si2 — CID 14408073

IUPACtert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC=C(CI)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H39IO2Si2/c1-18(2,3)23(7,8)21-16-12-11-15(14-20)17(13-16)22-24(9,10)19(4,5)6/h11,16-17H,12-14H2,1-10H3/t16-,17+/m1/s1
InChIKeyYCBDSRZWWDXCNG-SJORKVTESA-N
MW482.60 g/mol
LogP6.92
Rot. Bonds5

About tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane

tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 14408073) has the molecular formula C19H39IO2Si2 and a molecular weight of 482.60 g/mol. Its IUPAC name is tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID14408073
Molecular FormulaC19H39IO2Si2
Molecular Weight482.60 g/mol
Exact Mass482.15
IUPAC Nametert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC=C(CI)[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H39IO2Si2/c1-18(2,3)23(7,8)21-16-12-11-15(14-20)17(13-16)22-24(9,10)19(4,5)6/h11,16-17H,12-14H2,1-10H3/t16-,17+/m1/s1
InChIKeyYCBDSRZWWDXCNG-SJORKVTESA-N
XLogP6.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.60
LogP ≤ 56.92
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane (CID 14408073) is tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1CC=C(CI)[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is YCBDSRZWWDXCNG-SJORKVTESA-N. The full InChI is InChI=1S/C19H39IO2Si2/c1-18(2,3)23(7,8)21-16-12-11-15(14-20)17(13-16)22-24(9,10)19(4,5)6/h11,16-17H,12-14H2,1-10H3/t16-,17+/m1/s1.
What are the key properties of tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 482.60 g/mol, XLogP of 6.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-(iodomethyl)cyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 14408073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).