[(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane

C52H108O10Si4 — CID 10964146

IUPAC[(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C[C@H](OC)[C@H]1O[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O2)C(C)(C)[C@H]1OCOCCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C52H108O10Si4/c1-29-37(2)44(62-66(27,28)50(14,15)16)39(4)41(60-64(23,24)48(8,9)10)34-42(54-20)45-46(56-36-55-33-32-53-19)51(17,18)52(59-45)35-43(61-65(25,26)49(11,12)13)38(3)40(58-52)30-31-57-63(21,22)47(5,6)7/h29,37-46H,1,30-36H2,2-28H3/t37-,38-,39+,40+,41+,42+,43-,44-,45-,46+,52-/m1/s1
InChIKeyAVZHYFOARXSWHY-NSCDRRMHSA-N
MW1005.77 g/mol
LogP13.98
Rot. Bonds24

About [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane

[(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10964146) has the molecular formula C52H108O10Si4 and a molecular weight of 1005.77 g/mol. Its IUPAC name is [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10964146
Molecular FormulaC52H108O10Si4
Molecular Weight1005.77 g/mol
Exact Mass1004.70
IUPAC Name[(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C[C@H](OC)[C@H]1O[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O2)C(C)(C)[C@H]1OCOCCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C52H108O10Si4/c1-29-37(2)44(62-66(27,28)50(14,15)16)39(4)41(60-64(23,24)48(8,9)10)34-42(54-20)45-46(56-36-55-33-32-53-19)51(17,18)52(59-45)35-43(61-65(25,26)49(11,12)13)38(3)40(58-52)30-31-57-63(21,22)47(5,6)7/h29,37-46H,1,30-36H2,2-28H3/t37-,38-,39+,40+,41+,42+,43-,44-,45-,46+,52-/m1/s1
InChIKeyAVZHYFOARXSWHY-NSCDRRMHSA-N
XLogP13.98
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.77
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane (CID 10964146) is [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane is C=C[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C[C@H](OC)[C@H]1O[C@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O2)C(C)(C)[C@H]1OCOCCOC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is AVZHYFOARXSWHY-NSCDRRMHSA-N. The full InChI is InChI=1S/C52H108O10Si4/c1-29-37(2)44(62-66(27,28)50(14,15)16)39(4)41(60-64(23,24)48(8,9)10)34-42(54-20)45-46(56-36-55-33-32-53-19)51(17,18)52(59-45)35-43(61-65(25,26)49(11,12)13)38(3)40(58-52)30-31-57-63(21,22)47(5,6)7/h29,37-46H,1,30-36H2,2-28H3/t37-,38-,39+,40+,41+,42+,43-,44-,45-,46+,52-/m1/s1.
What are the key properties of [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 1005.77 g/mol, XLogP of 13.98, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10964146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).