[(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane

C16H30O4Si — CID 134841319

IUPAC[(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C1CO1
InChIInChI=1S/C16H30O4Si/c1-15(2,3)21(6,7)20-11-8-10(12-9-17-12)13-14(11)19-16(4,5)18-13/h10-14H,8-9H2,1-7H3/t10-,11-,12?,13-,14+/m0/s1
InChIKeyJMPJCNTWTQGZIW-WSOGJNRSSA-N
MW314.50 g/mol
LogP3.32
Rot. Bonds3

About [(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane

[(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 134841319) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is [(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID134841319
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Name[(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C1CO1
InChIInChI=1S/C16H30O4Si/c1-15(2,3)21(6,7)20-11-8-10(12-9-17-12)13-14(11)19-16(4,5)18-13/h10-14H,8-9H2,1-7H3/t10-,11-,12?,13-,14+/m0/s1
InChIKeyJMPJCNTWTQGZIW-WSOGJNRSSA-N
XLogP3.32
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane (CID 134841319) is [(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane is CC1(C)O[C@@H]2[C@H](O1)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2C1CO1.
What is the InChIKey of [(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JMPJCNTWTQGZIW-WSOGJNRSSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-15(2,3)21(6,7)20-11-8-10(12-9-17-12)13-14(11)19-16(4,5)18-13/h10-14H,8-9H2,1-7H3/t10-,11-,12?,13-,14+/m0/s1.
What are the key properties of [(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane?
[(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 314.50 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,6S,6aS)-2,2-dimethyl-6-(oxiran-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134841319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).