tert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane

C24H49IO3Si2 — CID 132556391

IUPACtert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane
SMILESC[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/I)[C@@H]1CCO[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C24H49IO3Si2/c1-18(14-16-25)21(28-29(12,13)22(3,4)5)19(2)20-15-17-26-30(27-20,23(6,7)8)24(9,10)11/h14,16,18-21H,15,17H2,1-13H3/b16-14+/t18-,19+,20-,21+/m0/s1
InChIKeySWVZWVCMSNVXIO-IGVISXBZSA-N
MW568.73 g/mol
LogP8.45
Rot. Bonds6

About tert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane (PubChem CID 132556391) has the molecular formula C24H49IO3Si2 and a molecular weight of 568.73 g/mol. Its IUPAC name is tert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane
PubChem CID132556391
Molecular FormulaC24H49IO3Si2
Molecular Weight568.73 g/mol
Exact Mass568.23
IUPAC Nametert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane
SMILESC[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/I)[C@@H]1CCO[Si](C(C)(C)C)(C(C)(C)C)O1
InChIInChI=1S/C24H49IO3Si2/c1-18(14-16-25)21(28-29(12,13)22(3,4)5)19(2)20-15-17-26-30(27-20,23(6,7)8)24(9,10)11/h14,16,18-21H,15,17H2,1-13H3/b16-14+/t18-,19+,20-,21+/m0/s1
InChIKeySWVZWVCMSNVXIO-IGVISXBZSA-N
XLogP8.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.73
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane (CID 132556391) is tert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane is C[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/I)[C@@H]1CCO[Si](C(C)(C)C)(C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
The InChIKey is SWVZWVCMSNVXIO-IGVISXBZSA-N. The full InChI is InChI=1S/C24H49IO3Si2/c1-18(14-16-25)21(28-29(12,13)22(3,4)5)19(2)20-15-17-26-30(27-20,23(6,7)8)24(9,10)11/h14,16,18-21H,15,17H2,1-13H3/b16-14+/t18-,19+,20-,21+/m0/s1.
What are the key properties of tert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane has a molecular weight of 568.73 g/mol, XLogP of 8.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R,3R,4S)-2-[(4S)-2,2-ditert-butyl-1,3,2-dioxasilinan-4-yl]-6-iodo-4-methylhex-5-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 132556391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).