tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane

C22H45IO2Si2 — CID 134982119

IUPACtert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane
SMILESCC(=C\I)/C(C)=C/[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H45IO2Si2/c1-17(19(3)15-23)14-18(2)20(25-27(12,13)22(7,8)9)16-24-26(10,11)21(4,5)6/h14-15,18,20H,16H2,1-13H3/b17-14+,19-15+/t18-,20+/m1/s1
InChIKeyHMMSDNMLMFDLEV-RMDPSJRESA-N
MW524.68 g/mol
LogP8.32
Rot. Bonds8

About tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane

tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane (PubChem CID 134982119) has the molecular formula C22H45IO2Si2 and a molecular weight of 524.68 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane
PubChem CID134982119
Molecular FormulaC22H45IO2Si2
Molecular Weight524.68 g/mol
Exact Mass524.20
IUPAC Nametert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane
SMILESCC(=C\I)/C(C)=C/[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H45IO2Si2/c1-17(19(3)15-23)14-18(2)20(25-27(12,13)22(7,8)9)16-24-26(10,11)21(4,5)6/h14-15,18,20H,16H2,1-13H3/b17-14+,19-15+/t18-,20+/m1/s1
InChIKeyHMMSDNMLMFDLEV-RMDPSJRESA-N
XLogP8.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.68
LogP ≤ 58.32
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(Z,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-iodo-2,4,6-trimethylhept-5-enoxy]-dimethylsilane
CID 87797735
tert-butyl-[(3R,4R,5E,7E,9Z)-10-iodo-4,6,8-trimethylundeca-5,7,9-trien-3-yl]oxy-dimethylsilane
CID 134865846
tert-butyl-[(3E,5R,6R,7Z,9Z)-5-[tert-butyl(dimethyl)silyl]oxy-10-iodo-3,6,8-trimethylundeca-3,7,9-trienoxy]-dimethylsilane
CID 135036510
(5R,6S)-9,9-Diethyl-5-[(2S)-4-iodopent-3-en-2-yl]-2,2,3,3,6-pentamethyl-4,8-dioxa-3,9-disilaundecane
CID 57354457
tert-butyl-[(E,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane
CID 58139633
tert-butyl-[(3S,4S,5E,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane
CID 59202256
tert-butyl-[(2S,4S,6E,8E)-4-[tert-butyl(dimethyl)silyl]oxy-9-iodo-7-methylnona-6,8-dien-2-yl]oxy-dimethylsilane
CID 89570913
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane
CID 90919260
tert-butyl-[(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-iodo-2,4,6-trimethylhept-5-enoxy]-dimethylsilane
CID 91001926
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhept-5-enoxy]-dimethylsilane
CID 123160192
tert-butyl-[(2Z,5R,6E,8Z,10S)-5-[tert-butyl(dimethyl)silyl]oxy-8-ethyl-11-iodo-10-methylundeca-2,6,8-trienoxy]-dimethylsilane
CID 10907988
(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dien-1-ol
CID 11015096

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane (CID 134982119) is tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane is CC(=C\I)/C(C)=C/[C@@H](C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane?
The InChIKey is HMMSDNMLMFDLEV-RMDPSJRESA-N. The full InChI is InChI=1S/C22H45IO2Si2/c1-17(19(3)15-23)14-18(2)20(25-27(12,13)22(7,8)9)16-24-26(10,11)21(4,5)6/h14-15,18,20H,16H2,1-13H3/b17-14+,19-15+/t18-,20+/m1/s1.
What are the key properties of tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane?
tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane has a molecular weight of 524.68 g/mol, XLogP of 8.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-7-iodo-3,5,6-trimethylhepta-4,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 134982119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).