[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane

C12H20O2Si — CID 125462006

IUPAC[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane
SMILESCC1(C)O[C@H]2C=CC([Si](C)(C)C)=C[C@H]2O1
InChIInChI=1S/C12H20O2Si/c1-12(2)13-10-7-6-9(15(3,4)5)8-11(10)14-12/h6-8,10-11H,1-5H3/t10-,11+/m0/s1
InChIKeyDHUACXAZRVUGCJ-WDEREUQCSA-N
MW224.38 g/mol
LogP2.88
Rot. Bonds1

About [(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane

[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane (PubChem CID 125462006) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is [(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane
PubChem CID125462006
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Name[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane
SMILESCC1(C)O[C@H]2C=CC([Si](C)(C)C)=C[C@H]2O1
InChIInChI=1S/C12H20O2Si/c1-12(2)13-10-7-6-9(15(3,4)5)8-11(10)14-12/h6-8,10-11H,1-5H3/t10-,11+/m0/s1
InChIKeyDHUACXAZRVUGCJ-WDEREUQCSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane?
The IUPAC name of [(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane (CID 125462006) is [(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane.
What is the SMILES notation for [(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane?
The canonical SMILES for [(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane is CC1(C)O[C@H]2C=CC([Si](C)(C)C)=C[C@H]2O1.
What is the InChIKey of [(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane?
The InChIKey is DHUACXAZRVUGCJ-WDEREUQCSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-12(2)13-10-7-6-9(15(3,4)5)8-11(10)14-12/h6-8,10-11H,1-5H3/t10-,11+/m0/s1.
What are the key properties of [(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane?
[(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane has a molecular weight of 224.38 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aS)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxol-5-yl]-trimethylsilane is sourced from PubChem (CID 125462006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).