[(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane

C76H148O24Si16 — CID 139183706

IUPAC[(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[Si]1(C2CCCC2)O[Si@@]2(C3CCCC3)O[Si]3(C4CCCC4)O[Si](C4CCCC4)(O[Si@](O)(C4CCCC4)O2)O[Si@@](O)(C2CCCC2)O[Si@](C2CCCC2)(O1)O3.C[Si](C)(C)O[Si]1(C2CCCC2)O[Si@@]2(C3CCCC3)O[Si]3(C4CCCC4)O[Si](C4CCCC4)(O[Si@](O)(C4CCCC4)O2)O[Si@@](O)(C2CCCC2)O[Si@](C2CCCC2)(O1)O3
InChIInChI=1S/2C38H74O12Si8/c2*1-51(2,3)41-54(34-22-8-9-23-34)46-56(36-26-12-13-27-36)44-52(39,32-18-4-5-19-32)42-55(35-24-10-11-25-35)43-53(40,33-20-6-7-21-33)45-57(47-54,37-28-14-15-29-37)50-58(48-55,49-56)38-30-16-17-31-38/h2*32-40H,4-31H2,1-3H3/t2*52-,53+,54?,55?,56+,57-,58?
InChIKeyVZNHYADHLQERAL-YQBHOLBDSA-N
MW1895.37 g/mol
LogP20.39
Rot. Bonds18

About [(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane

[(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane (PubChem CID 139183706) has the molecular formula C76H148O24Si16 and a molecular weight of 1895.37 g/mol. Its IUPAC name is [(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane
PubChem CID139183706
Molecular FormulaC76H148O24Si16
Molecular Weight1895.37 g/mol
Exact Mass1892.67
IUPAC Name[(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[Si]1(C2CCCC2)O[Si@@]2(C3CCCC3)O[Si]3(C4CCCC4)O[Si](C4CCCC4)(O[Si@](O)(C4CCCC4)O2)O[Si@@](O)(C2CCCC2)O[Si@](C2CCCC2)(O1)O3.C[Si](C)(C)O[Si]1(C2CCCC2)O[Si@@]2(C3CCCC3)O[Si]3(C4CCCC4)O[Si](C4CCCC4)(O[Si@](O)(C4CCCC4)O2)O[Si@@](O)(C2CCCC2)O[Si@](C2CCCC2)(O1)O3
InChIInChI=1S/2C38H74O12Si8/c2*1-51(2,3)41-54(34-22-8-9-23-34)46-56(36-26-12-13-27-36)44-52(39,32-18-4-5-19-32)42-55(35-24-10-11-25-35)43-53(40,33-20-6-7-21-33)45-57(47-54,37-28-14-15-29-37)50-58(48-55,49-56)38-30-16-17-31-38/h2*32-40H,4-31H2,1-3H3/t2*52-,53+,54?,55?,56+,57-,58?
InChIKeyVZNHYADHLQERAL-YQBHOLBDSA-N
XLogP20.39
TPSA265.52 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001895.37
LogP ≤ 520.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze [(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane?
The IUPAC name of [(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane (CID 139183706) is [(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane is C[Si](C)(C)O[Si]1(C2CCCC2)O[Si@@]2(C3CCCC3)O[Si]3(C4CCCC4)O[Si](C4CCCC4)(O[Si@](O)(C4CCCC4)O2)O[Si@@](O)(C2CCCC2)O[Si@](C2CCCC2)(O1)O3.C[Si](C)(C)O[Si]1(C2CCCC2)O[Si@@]2(C3CCCC3)O[Si]3(C4CCCC4)O[Si](C4CCCC4)(O[Si@](O)(C4CCCC4)O2)O[Si@@](O)(C2CCCC2)O[Si@](C2CCCC2)(O1)O3.
What is the InChIKey of [(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane?
The InChIKey is VZNHYADHLQERAL-YQBHOLBDSA-N. The full InChI is InChI=1S/2C38H74O12Si8/c2*1-51(2,3)41-54(34-22-8-9-23-34)46-56(36-26-12-13-27-36)44-52(39,32-18-4-5-19-32)42-55(35-24-10-11-25-35)43-53(40,33-20-6-7-21-33)45-57(47-54,37-28-14-15-29-37)50-58(48-55,49-56)38-30-16-17-31-38/h2*32-40H,4-31H2,1-3H3/t2*52-,53+,54?,55?,56+,57-,58?.
What are the key properties of [(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane?
[(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane has a molecular weight of 1895.37 g/mol, XLogP of 20.39, 18 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S,7R,14S)-1,3,5,7,9,11,14-heptacyclopentyl-7,14-dihydroxy-2,4,6,8,10,12,13,15,16-nonaoxa-1,3,5,7,9,11,14-heptasilatricyclo[7.3.3.15,11]hexadecan-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 139183706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).