tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane

C19H43IO2Si2 — CID 154722299

IUPACtert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane
SMILESCC(I)C[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H43IO2Si2/c1-15(20)13-17(22-24(11,12)19(6,7)8)14-16(2)21-23(9,10)18(3,4)5/h15-17H,13-14H2,1-12H3/t15?,16-,17+/m1/s1
InChIKeyKSIAXHZRTMYOLX-FGJGXXMFSA-N
MW486.63 g/mol
LogP7.39
Rot. Bonds8

About tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane (PubChem CID 154722299) has the molecular formula C19H43IO2Si2 and a molecular weight of 486.63 g/mol. Its IUPAC name is tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane
PubChem CID154722299
Molecular FormulaC19H43IO2Si2
Molecular Weight486.63 g/mol
Exact Mass486.18
IUPAC Nametert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane
SMILESCC(I)C[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H43IO2Si2/c1-15(20)13-17(22-24(11,12)19(6,7)8)14-16(2)21-23(9,10)18(3,4)5/h15-17H,13-14H2,1-12H3/t15?,16-,17+/m1/s1
InChIKeyKSIAXHZRTMYOLX-FGJGXXMFSA-N
XLogP7.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.63
LogP ≤ 57.39
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'}

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Related Compounds

tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodopentan-3-yl]oxy-dimethylsilane
CID 135034832
Tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
CID 85399718
(5S,6R)-6-((ethyldimethylsilyl)oxy)-3,3,9,9-tetramethyl-5-propyl-4,8-dioxa-3,9-disilaundecane
CID 91758721
tert-butyl-[(4R)-1-iodononan-4-yl]oxy-dimethylsilane
CID 101808239
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxytetradecan-3-yl]oxy-dimethylsilane
CID 134864006
lithium tert-butyl-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane
CID 154722514
Tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane
CID 10462015
Tert-butyl-(14-iodotetradecan-7-yloxy)-dimethylsilane
CID 21849279
Tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-1-iodohexan-3-yl]oxy-dimethylsilane
CID 57026141
tert-butyl-[(2R,7S)-7-[tert-butyl(dimethyl)silyl]oxyoctan-2-yl]oxy-dimethylsilane
CID 57935624
tert-butyl-[(2R)-1-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]oxy-dimethylsilane
CID 88020057
(S)-tert-butyl(1-iodooctan-3-yloxy)dimethylsilane
CID 89413771

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane (CID 154722299) is tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane is CC(I)C[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane?
The InChIKey is KSIAXHZRTMYOLX-FGJGXXMFSA-N. The full InChI is InChI=1S/C19H43IO2Si2/c1-15(20)13-17(22-24(11,12)19(6,7)8)14-16(2)21-23(9,10)18(3,4)5/h15-17H,13-14H2,1-12H3/t15?,16-,17+/m1/s1.
What are the key properties of tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane has a molecular weight of 486.63 g/mol, XLogP of 7.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 154722299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).