tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane

C18H41IO2Si2 — CID 45101159

IUPACtert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane
SMILESCC(C)[Si](OC[C@@H](CI)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H41IO2Si2/c1-14(2)23(15(3)4,16(5)6)20-13-17(12-19)21-22(10,11)18(7,8)9/h14-17H,12-13H2,1-11H3/t17-/m1/s1
InChIKeyYHSOFBKISBKHEF-QGZVFWFLSA-N
MW472.60 g/mol
LogP7.00
Rot. Bonds9

About tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane (PubChem CID 45101159) has the molecular formula C18H41IO2Si2 and a molecular weight of 472.60 g/mol. Its IUPAC name is tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane
PubChem CID45101159
Molecular FormulaC18H41IO2Si2
Molecular Weight472.60 g/mol
Exact Mass472.17
IUPAC Nametert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane
SMILESCC(C)[Si](OC[C@@H](CI)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H41IO2Si2/c1-14(2)23(15(3)4,16(5)6)20-13-17(12-19)21-22(10,11)18(7,8)9/h14-17H,12-13H2,1-11H3/t17-/m1/s1
InChIKeyYHSOFBKISBKHEF-QGZVFWFLSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 57.00
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-[(3R)-1-iodopentan-3-yl]oxy-dimethylsilane
CID 15939181
tert-butyl-[2-(iodomethyl)-3-methylbutoxy]-dimethylsilane
CID 177309340
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
CID 11102782
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
CID 11130810
tert-butyl-[(2R)-1-iodododec-11-yn-2-yl]oxy-dimethylsilane
CID 125497051
tert-butyl-dimethyl-pentan-3-yloxysilane;molecular hydrogen
CID 175100098
tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane
CID 123652113
[(2R)-3-iodo-2-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propoxy]-tri(propan-2-yl)silane
CID 54756999
2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium
CID 88611659
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970
[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane
CID 11271407

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane (CID 45101159) is tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane is CC(C)[Si](OC[C@@H](CI)O[Si](C)(C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane?
The InChIKey is YHSOFBKISBKHEF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H41IO2Si2/c1-14(2)23(15(3)4,16(5)6)20-13-17(12-19)21-22(10,11)18(7,8)9/h14-17H,12-13H2,1-11H3/t17-/m1/s1.
What are the key properties of tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane has a molecular weight of 472.60 g/mol, XLogP of 7.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 45101159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).