lithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane

C33H69LiO4Si3 — CID 134974832

IUPAClithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane
SMILESCC(C)[Si](OC[C@H]1O[C-]=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C33H69O4Si3.Li/c1-22(2)38(23(3)4,24(5)6)35-21-32-33(37-40(28(13)14,29(15)16)30(17)18)31(19-20-34-32)36-39(25(7)8,26(9)10)27(11)12;/h19,22-33H,21H2,1-18H3;/q-1;+1/t31-,32-,33+;/m1./s1
InChIKeyUYJDOJHEQOFECT-BAKKYWBDSA-N
MW621.11 g/mol
LogP8.02
Rot. Bonds16

About lithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane

lithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane (PubChem CID 134974832) has the molecular formula C33H69LiO4Si3 and a molecular weight of 621.11 g/mol. Its IUPAC name is lithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane.

Molecular Properties

Compound Namelithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane
PubChem CID134974832
Molecular FormulaC33H69LiO4Si3
Molecular Weight621.11 g/mol
Exact Mass620.47
IUPAC Namelithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane
SMILESCC(C)[Si](OC[C@H]1O[C-]=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C33H69O4Si3.Li/c1-22(2)38(23(3)4,24(5)6)35-21-32-33(37-40(28(13)14,29(15)16)30(17)18)31(19-20-34-32)36-39(25(7)8,26(9)10)27(11)12;/h19,22-33H,21H2,1-18H3;/q-1;+1/t31-,32-,33+;/m1./s1
InChIKeyUYJDOJHEQOFECT-BAKKYWBDSA-N
XLogP8.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.11
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane?
The IUPAC name of lithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane (CID 134974832) is lithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane.
What is the SMILES notation for lithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane?
The canonical SMILES for lithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane is CC(C)[Si](OC[C@H]1O[C-]=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.[Li+].
What is the InChIKey of lithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane?
The InChIKey is UYJDOJHEQOFECT-BAKKYWBDSA-N. The full InChI is InChI=1S/C33H69O4Si3.Li/c1-22(2)38(23(3)4,24(5)6)35-21-32-33(37-40(28(13)14,29(15)16)30(17)18)31(19-20-34-32)36-39(25(7)8,26(9)10)27(11)12;/h19,22-33H,21H2,1-18H3;/q-1;+1/t31-,32-,33+;/m1./s1.
What are the key properties of lithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane?
lithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane has a molecular weight of 621.11 g/mol, XLogP of 8.02, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tri(propan-2-yl)-[[(2R,3R,4R)-3-tri(propan-2-yl)silyloxy-2-[tri(propan-2-yl)silyloxymethyl]-2,3,4,6-tetrahydropyran-6-id-4-yl]oxy]silane is sourced from PubChem (CID 134974832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).