[(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane

C29H55BrO5Si2 — CID 177417479

IUPAC[(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane
SMILESC=CC[C@@H]1O[C@@]2(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C=C)C[C@H]([C@@H](CCBr)O[Si](C)(C)C(C)(C)C)O[C@H](C)O2
InChIInChI=1S/C29H55BrO5Si2/c1-14-16-23-22(15-2)25(35-37(12,13)28(7,8)9)19-29(33-23)20-26(31-21(3)32-29)24(17-18-30)34-36(10,11)27(4,5)6/h14-15,21-26H,1-2,16-20H2,3-13H3/t21-,22-,23-,24+,25-,26+,29-/m0/s1
InChIKeyWYKDROSYDLKQMM-DBGLCHLNSA-N
MW619.83 g/mol
LogP8.57
Rot. Bonds10

About [(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane

[(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane (PubChem CID 177417479) has the molecular formula C29H55BrO5Si2 and a molecular weight of 619.83 g/mol. Its IUPAC name is [(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane
PubChem CID177417479
Molecular FormulaC29H55BrO5Si2
Molecular Weight619.83 g/mol
Exact Mass618.28
IUPAC Name[(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane
SMILESC=CC[C@@H]1O[C@@]2(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C=C)C[C@H]([C@@H](CCBr)O[Si](C)(C)C(C)(C)C)O[C@H](C)O2
InChIInChI=1S/C29H55BrO5Si2/c1-14-16-23-22(15-2)25(35-37(12,13)28(7,8)9)19-29(33-23)20-26(31-21(3)32-29)24(17-18-30)34-36(10,11)27(4,5)6/h14-15,21-26H,1-2,16-20H2,3-13H3/t21-,22-,23-,24+,25-,26+,29-/m0/s1
InChIKeyWYKDROSYDLKQMM-DBGLCHLNSA-N
XLogP8.57
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.83
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[[(2R,3S,6S,8R,9S)-8-(3,3-dibromoprop-2-enyl)-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 24749544
tert-butyl-[2-[(4S,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]ethoxy]-dimethylsilane
CID 134850568
tert-butyl-[[(2R,3S)-8-(3,3-dibromoprop-2-enyl)-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 134940742
tert-butyl-[[(2R,3S,6R,8R,9S)-8-(3,3-dibromoprop-2-enyl)-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 101452087

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane (CID 177417479) is [(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane is C=CC[C@@H]1O[C@@]2(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C=C)C[C@H]([C@@H](CCBr)O[Si](C)(C)C(C)(C)C)O[C@H](C)O2.
What is the InChIKey of [(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane?
The InChIKey is WYKDROSYDLKQMM-DBGLCHLNSA-N. The full InChI is InChI=1S/C29H55BrO5Si2/c1-14-16-23-22(15-2)25(35-37(12,13)28(7,8)9)19-29(33-23)20-26(31-21(3)32-29)24(17-18-30)34-36(10,11)27(4,5)6/h14-15,21-26H,1-2,16-20H2,3-13H3/t21-,22-,23-,24+,25-,26+,29-/m0/s1.
What are the key properties of [(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane?
[(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane has a molecular weight of 619.83 g/mol, XLogP of 8.57, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-bromo-1-[(2S,4R,6S,8S,9S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-9-ethenyl-2-methyl-8-prop-2-enyl-1,3,7-trioxaspiro[5.5]undecan-4-yl]propoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 177417479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).