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

C19H36O4Si — CID 164730672

IUPAC[(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1=C[C@H](COC(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C19H36O4Si/c1-9-24(10-2,11-3)23-15-12-14(13-20-18(4,5)6)16-17(15)22-19(7,8)21-16/h12,14,16-17H,9-11,13H2,1-8H3/t14-,16-,17+/m1/s1
InChIKeyLKBMDMRZGJMKSK-OIISXLGYSA-N
MW356.58 g/mol
LogP4.86
Rot. Bonds7

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

[(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane (PubChem CID 164730672) has the molecular formula C19H36O4Si and a molecular weight of 356.58 g/mol. Its IUPAC name is [(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
PubChem CID164730672
Molecular FormulaC19H36O4Si
Molecular Weight356.58 g/mol
Exact Mass356.24
IUPAC Name[(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1=C[C@H](COC(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C19H36O4Si/c1-9-24(10-2,11-3)23-15-12-14(13-20-18(4,5)6)16-17(15)22-19(7,8)21-16/h12,14,16-17H,9-11,13H2,1-8H3/t14-,16-,17+/m1/s1
InChIKeyLKBMDMRZGJMKSK-OIISXLGYSA-N
XLogP4.86
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane?
The IUPAC name of [(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane (CID 164730672) is [(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane.
What is the SMILES notation for [(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane?
The canonical SMILES for [(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC1=C[C@H](COC(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of [(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane?
The InChIKey is LKBMDMRZGJMKSK-OIISXLGYSA-N. The full InChI is InChI=1S/C19H36O4Si/c1-9-24(10-2,11-3)23-15-12-14(13-20-18(4,5)6)16-17(15)22-19(7,8)21-16/h12,14,16-17H,9-11,13H2,1-8H3/t14-,16-,17+/m1/s1.
What are the key properties of [(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane?
[(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane has a molecular weight of 356.58 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy-triethylsilane is sourced from PubChem (CID 164730672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).