[(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane

C15H28O3Si — CID 155623402

IUPAC[(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1=CC(C)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C15H28O3Si/c1-7-19(8-2,9-3)18-12-10-11(4)13-14(12)17-15(5,6)16-13/h10-11,13-14H,7-9H2,1-6H3/t11?,13-,14+/m1/s1
InChIKeyKPVQMDJYCNEAMU-WLPIGLKUSA-N
MW284.47 g/mol
LogP4.06
Rot. Bonds5

About [(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane

[(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane (PubChem CID 155623402) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is [(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
PubChem CID155623402
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name[(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1=CC(C)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C15H28O3Si/c1-7-19(8-2,9-3)18-12-10-11(4)13-14(12)17-15(5,6)16-13/h10-11,13-14H,7-9H2,1-6H3/t11?,13-,14+/m1/s1
InChIKeyKPVQMDJYCNEAMU-WLPIGLKUSA-N
XLogP4.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane?
The IUPAC name of [(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane (CID 155623402) is [(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane?
The canonical SMILES for [(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC1=CC(C)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of [(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane?
The InChIKey is KPVQMDJYCNEAMU-WLPIGLKUSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-7-19(8-2,9-3)18-12-10-11(4)13-14(12)17-15(5,6)16-13/h10-11,13-14H,7-9H2,1-6H3/t11?,13-,14+/m1/s1.
What are the key properties of [(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane?
[(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane has a molecular weight of 284.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane is sourced from PubChem (CID 155623402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).