[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol

C30H58O6Si2 — CID 11433072

IUPAC[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol
SMILESC=CC(C[C@@H]1CC[C@@](C)(O[Si](CC)(CC)CC)[C@]2(CC[C@@]3(CCC[C@H](CO)O3)O2)O1)O[Si](CC)(CC)CC
InChIInChI=1S/C30H58O6Si2/c1-9-25(34-37(10-2,11-3)12-4)23-26-18-20-28(8,36-38(13-5,14-6)15-7)30(33-26)22-21-29(35-30)19-16-17-27(24-31)32-29/h9,25-27,31H,1,10-24H2,2-8H3/t25?,26-,27+,28+,29+,30+/m0/s1
InChIKeyJSZPPSBRLVKMIL-XAGZMVNWSA-N
MW570.96 g/mol
LogP7.68
Rot. Bonds14

About [(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol

[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol (PubChem CID 11433072) has the molecular formula C30H58O6Si2 and a molecular weight of 570.96 g/mol. Its IUPAC name is [(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol.

Molecular Properties

Compound Name[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol
PubChem CID11433072
Molecular FormulaC30H58O6Si2
Molecular Weight570.96 g/mol
Exact Mass570.38
IUPAC Name[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol
SMILESC=CC(C[C@@H]1CC[C@@](C)(O[Si](CC)(CC)CC)[C@]2(CC[C@@]3(CCC[C@H](CO)O3)O2)O1)O[Si](CC)(CC)CC
InChIInChI=1S/C30H58O6Si2/c1-9-25(34-37(10-2,11-3)12-4)23-26-18-20-28(8,36-38(13-5,14-6)15-7)30(33-26)22-21-29(35-30)19-16-17-27(24-31)32-29/h9,25-27,31H,1,10-24H2,2-8H3/t25?,26-,27+,28+,29+,30+/m0/s1
InChIKeyJSZPPSBRLVKMIL-XAGZMVNWSA-N
XLogP7.68
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.96
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 [(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol?
The IUPAC name of [(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol (CID 11433072) is [(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol.
What is the SMILES notation for [(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol?
The canonical SMILES for [(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol is C=CC(C[C@@H]1CC[C@@](C)(O[Si](CC)(CC)CC)[C@]2(CC[C@@]3(CCC[C@H](CO)O3)O2)O1)O[Si](CC)(CC)CC.
What is the InChIKey of [(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol?
The InChIKey is JSZPPSBRLVKMIL-XAGZMVNWSA-N. The full InChI is InChI=1S/C30H58O6Si2/c1-9-25(34-37(10-2,11-3)12-4)23-26-18-20-28(8,36-38(13-5,14-6)15-7)30(33-26)22-21-29(35-30)19-16-17-27(24-31)32-29/h9,25-27,31H,1,10-24H2,2-8H3/t25?,26-,27+,28+,29+,30+/m0/s1.
What are the key properties of [(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol?
[(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol has a molecular weight of 570.96 g/mol, XLogP of 7.68, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R,8R,10S,13R)-13-methyl-13-triethylsilyloxy-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-4-yl]methanol is sourced from PubChem (CID 11433072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).