[(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane

C15H28O3Si — CID 10803013

IUPAC[(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=CC[C@H]2O1
InChIInChI=1S/C15H28O3Si/c1-14(2,3)19(6,7)18-12-10-8-9-11-13(12)17-15(4,5)16-11/h8,10-13H,9H2,1-7H3/t11-,12+,13-/m1/s1
InChIKeyQAZHVXAXWRUUJL-FRRDWIJNSA-N
MW284.47 g/mol
LogP3.86
Rot. Bonds2

About [(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane

[(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10803013) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is [(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10803013
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name[(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=CC[C@H]2O1
InChIInChI=1S/C15H28O3Si/c1-14(2,3)19(6,7)18-12-10-8-9-11-13(12)17-15(4,5)16-11/h8,10-13H,9H2,1-7H3/t11-,12+,13-/m1/s1
InChIKeyQAZHVXAXWRUUJL-FRRDWIJNSA-N
XLogP3.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tert-butyl-dimethylsilane
CID 11161517
[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-trimethylsilane
CID 15965749
[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-methoxy-dimethylsilane
CID 10776580
[(3aR,4S,7aR)-6-ethenyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 10935827
tert-butyl-[[(8S)-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-dimethylsilane
CID 11425711
[(3aR,7aR)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-trimethylsilane
CID 46180361
Tert-butyl-(1,4-dioxaspiro[4.5]dec-7-en-8-yloxy)-dimethylsilane
CID 73292067
(4R)-4-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-2-enyl]-1,3-dioxolan-2-one
CID 102273506
[(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-6-yl]-trimethylsilane
CID 134905865
[(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane
CID 134969663
1,4-Dioxaspiro[4.5]dec-6-en-7-yl(trimethyl)silane
CID 134975765
[(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl]-trimethylsilane
CID 134975999

Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane (CID 10803013) is [(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane is CC1(C)O[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C=CC[C@H]2O1.
What is the InChIKey of [(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is QAZHVXAXWRUUJL-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-14(2,3)19(6,7)18-12-10-8-9-11-13(12)17-15(4,5)16-11/h8,10-13H,9H2,1-7H3/t11-,12+,13-/m1/s1.
What are the key properties of [(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 284.47 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,7aR)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10803013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).