lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane

C36H69LiO5Si2 — CID 134940941

IUPAClithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
SMILESC=C(CC[CH2-])C[C@@H]1CC[C@@](C)(O[Si](CC)(CC)CC)[C@]2(CC[C@@]3(CCC[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O3)O2)O1.[Li+]
InChIInChI=1S/C36H69O5Si2.Li/c1-13-18-31(11)27-33-20-23-34(12,41-42(14-2,15-3)16-4)36(39-33)25-24-35(40-36)22-17-19-32(38-35)21-26-37-43(28(5)6,29(7)8)30(9)10;/h28-30,32-33H,1,11,13-27H2,2-10,12H3;/q-1;+1/t32-,33+,34-,35-,36-;/m1./s1
InChIKeyGVJRSQSHCLTDOZ-QTLIPDPSSA-N
MW645.06 g/mol
LogP7.86
Rot. Bonds16

About lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane

lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane (PubChem CID 134940941) has the molecular formula C36H69LiO5Si2 and a molecular weight of 645.06 g/mol. Its IUPAC name is lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane.

Molecular Properties

Compound Namelithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
PubChem CID134940941
Molecular FormulaC36H69LiO5Si2
Molecular Weight645.06 g/mol
Exact Mass644.48
IUPAC Namelithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
SMILESC=C(CC[CH2-])C[C@@H]1CC[C@@](C)(O[Si](CC)(CC)CC)[C@]2(CC[C@@]3(CCC[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O3)O2)O1.[Li+]
InChIInChI=1S/C36H69O5Si2.Li/c1-13-18-31(11)27-33-20-23-34(12,41-42(14-2,15-3)16-4)36(39-33)25-24-35(40-36)22-17-19-32(38-35)21-26-37-43(28(5)6,29(7)8)30(9)10;/h28-30,32-33H,1,11,13-27H2,2-10,12H3;/q-1;+1/t32-,33+,34-,35-,36-;/m1./s1
InChIKeyGVJRSQSHCLTDOZ-QTLIPDPSSA-N
XLogP7.86
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.06
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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 lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane?
The IUPAC name of lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane (CID 134940941) is lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane.
What is the SMILES notation for lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane?
The canonical SMILES for lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane is C=C(CC[CH2-])C[C@@H]1CC[C@@](C)(O[Si](CC)(CC)CC)[C@]2(CC[C@@]3(CCC[C@H](CCO[Si](C(C)C)(C(C)C)C(C)C)O3)O2)O1.[Li+].
What is the InChIKey of lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane?
The InChIKey is GVJRSQSHCLTDOZ-QTLIPDPSSA-N. The full InChI is InChI=1S/C36H69O5Si2.Li/c1-13-18-31(11)27-33-20-23-34(12,41-42(14-2,15-3)16-4)36(39-33)25-24-35(40-36)22-17-19-32(38-35)21-26-37-43(28(5)6,29(7)8)30(9)10;/h28-30,32-33H,1,11,13-27H2,2-10,12H3;/q-1;+1/t32-,33+,34-,35-,36-;/m1./s1.
What are the key properties of lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane?
lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane has a molecular weight of 645.06 g/mol, XLogP of 7.86, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane is sourced from PubChem (CID 134940941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).