tert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane

C28H56O5Si2 — CID 11478077

IUPACtert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
SMILESC=C[C@@H]1C[C@H](OC)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O2)O1
InChIInChI=1S/C28H56O5Si2/c1-14-23-15-24(29-11)17-28(31-23)18-25(33-34(12,13)27(8,9)10)16-26(32-28)19-30-35(20(2)3,21(4)5)22(6)7/h14,20-26H,1,15-19H2,2-13H3/t23-,24+,25+,26-,28-/m1/s1
InChIKeyNDFUXHVBEIFGOD-BZTMQRDQSA-N
MW528.92 g/mol
LogP7.82
Rot. Bonds10

About tert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane

tert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane (PubChem CID 11478077) has the molecular formula C28H56O5Si2 and a molecular weight of 528.92 g/mol. Its IUPAC name is tert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
PubChem CID11478077
Molecular FormulaC28H56O5Si2
Molecular Weight528.92 g/mol
Exact Mass528.37
IUPAC Nametert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
SMILESC=C[C@@H]1C[C@H](OC)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O2)O1
InChIInChI=1S/C28H56O5Si2/c1-14-23-15-24(29-11)17-28(31-23)18-25(33-34(12,13)27(8,9)10)16-26(32-28)19-30-35(20(2)3,21(4)5)22(6)7/h14,20-26H,1,15-19H2,2-13H3/t23-,24+,25+,26-,28-/m1/s1
InChIKeyNDFUXHVBEIFGOD-BZTMQRDQSA-N
XLogP7.82
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.92
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane (CID 11478077) is tert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane is C=C[C@@H]1C[C@H](OC)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O2)O1.
What is the InChIKey of tert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?
The InChIKey is NDFUXHVBEIFGOD-BZTMQRDQSA-N. The full InChI is InChI=1S/C28H56O5Si2/c1-14-23-15-24(29-11)17-28(31-23)18-25(33-34(12,13)27(8,9)10)16-26(32-28)19-30-35(20(2)3,21(4)5)22(6)7/h14,20-26H,1,15-19H2,2-13H3/t23-,24+,25+,26-,28-/m1/s1.
What are the key properties of tert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?
tert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane has a molecular weight of 528.92 g/mol, XLogP of 7.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,4S,6R,8R,10S)-2-ethenyl-4-methoxy-8-[tri(propan-2-yl)silyloxymethyl]-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11478077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).