lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane

C18H33LiO4Si — CID 134905412

IUPAClithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C=[C-]O[C@@H]2COC(C)(C)O[C@@H]12)(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C18H33O4Si.Li/c1-12(2)23(13(3)4,14(5)6)22-15-9-10-19-16-11-20-18(7,8)21-17(15)16;/h9,12-17H,11H2,1-8H3;/q-1;+1/t15-,16-,17+;/m1./s1
InChIKeyUIDUYIPEXIKFGX-QEFLZESTSA-N
MW348.49 g/mol
LogP1.42
Rot. Bonds5

About lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane

lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane (PubChem CID 134905412) has the molecular formula C18H33LiO4Si and a molecular weight of 348.49 g/mol. Its IUPAC name is lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Namelithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane
PubChem CID134905412
Molecular FormulaC18H33LiO4Si
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Namelithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@@H]1C=[C-]O[C@@H]2COC(C)(C)O[C@@H]12)(C(C)C)C(C)C.[Li+]
InChIInChI=1S/C18H33O4Si.Li/c1-12(2)23(13(3)4,14(5)6)22-15-9-10-19-16-11-20-18(7,8)21-17(15)16;/h9,12-17H,11H2,1-8H3;/q-1;+1/t15-,16-,17+;/m1./s1
InChIKeyUIDUYIPEXIKFGX-QEFLZESTSA-N
XLogP1.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.42
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'}

Analyze lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane (CID 134905412) is lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@@H]1C=[C-]O[C@@H]2COC(C)(C)O[C@@H]12)(C(C)C)C(C)C.[Li+].
What is the InChIKey of lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is UIDUYIPEXIKFGX-QEFLZESTSA-N. The full InChI is InChI=1S/C18H33O4Si.Li/c1-12(2)23(13(3)4,14(5)6)22-15-9-10-19-16-11-20-18(7,8)21-17(15)16;/h9,12-17H,11H2,1-8H3;/q-1;+1/t15-,16-,17+;/m1./s1.
What are the key properties of lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane?
lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 348.49 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(4aR,8R,8aR)-2,2-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-6-id-8-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134905412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).