[(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane

C15H28O3Si — CID 134969663

IUPAC[(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1=CC[C@@H]2OC(C)(C)O[C@@H]2C1
InChIInChI=1S/C15H28O3Si/c1-6-19(7-2,8-3)18-12-9-10-13-14(11-12)17-15(4,5)16-13/h9,13-14H,6-8,10-11H2,1-5H3/t13-,14+/m0/s1
InChIKeyPXPRJCCGRGLFDO-UONOGXRCSA-N
MW284.47 g/mol
LogP4.21
Rot. Bonds5

About [(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane

[(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane (PubChem CID 134969663) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is [(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane.

Molecular Properties

Compound Name[(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane
PubChem CID134969663
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name[(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC1=CC[C@@H]2OC(C)(C)O[C@@H]2C1
InChIInChI=1S/C15H28O3Si/c1-6-19(7-2,8-3)18-12-9-10-13-14(11-12)17-15(4,5)16-13/h9,13-14H,6-8,10-11H2,1-5H3/t13-,14+/m0/s1
InChIKeyPXPRJCCGRGLFDO-UONOGXRCSA-N
XLogP4.21
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 ≤ 54.21
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,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane?
The IUPAC name of [(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane (CID 134969663) is [(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane.
What is the SMILES notation for [(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane?
The canonical SMILES for [(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane is CC[Si](CC)(CC)OC1=CC[C@@H]2OC(C)(C)O[C@@H]2C1.
What is the InChIKey of [(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane?
The InChIKey is PXPRJCCGRGLFDO-UONOGXRCSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-6-19(7-2,8-3)18-12-9-10-13-14(11-12)17-15(4,5)16-13/h9,13-14H,6-8,10-11H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of [(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane?
[(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane has a molecular weight of 284.47 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane is sourced from PubChem (CID 134969663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).