tert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane

C24H45IO3Si — CID 10626189

IUPACtert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
SMILESC/C(=C\C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(CC[C@H](C)[C@@H](C(C)C)O2)O1)CI
InChIInChI=1S/C24H45IO3Si/c1-17(2)22-19(4)12-13-24(27-22)15-21(28-29(8,9)23(5,6)7)14-20(26-24)11-10-18(3)16-25/h10,17,19-22H,11-16H2,1-9H3/b18-10+/t19-,20+,21-,22+,24+/m0/s1
InChIKeyZTJXDAAIIWIBJB-UDHSLDDKSA-N
MW536.61 g/mol
LogP7.49
Rot. Bonds6

About tert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane

tert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane (PubChem CID 10626189) has the molecular formula C24H45IO3Si and a molecular weight of 536.61 g/mol. Its IUPAC name is tert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
PubChem CID10626189
Molecular FormulaC24H45IO3Si
Molecular Weight536.61 g/mol
Exact Mass536.22
IUPAC Nametert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
SMILESC/C(=C\C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(CC[C@H](C)[C@@H](C(C)C)O2)O1)CI
InChIInChI=1S/C24H45IO3Si/c1-17(2)22-19(4)12-13-24(27-22)15-21(28-29(8,9)23(5,6)7)14-20(26-24)11-10-18(3)16-25/h10,17,19-22H,11-16H2,1-9H3/b18-10+/t19-,20+,21-,22+,24+/m0/s1
InChIKeyZTJXDAAIIWIBJB-UDHSLDDKSA-N
XLogP7.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.61
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane (CID 10626189) is tert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane is C/C(=C\C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@]2(CC[C@H](C)[C@@H](C(C)C)O2)O1)CI.
What is the InChIKey of tert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?
The InChIKey is ZTJXDAAIIWIBJB-UDHSLDDKSA-N. The full InChI is InChI=1S/C24H45IO3Si/c1-17(2)22-19(4)12-13-24(27-22)15-21(28-29(8,9)23(5,6)7)14-20(26-24)11-10-18(3)16-25/h10,17,19-22H,11-16H2,1-9H3/b18-10+/t19-,20+,21-,22+,24+/m0/s1.
What are the key properties of tert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?
tert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane has a molecular weight of 536.61 g/mol, XLogP of 7.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3S,6R,8R,10S)-8-[(E)-4-iodo-3-methylbut-2-enyl]-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane is sourced from PubChem (CID 10626189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).