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

C11H20O2Si — CID 123304059

IUPAC[(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane
SMILESC[SiH](C)C1CC=C[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C11H20O2Si/c1-11(2)12-8-6-5-7-9(14(3)4)10(8)13-11/h5-6,8-10,14H,7H2,1-4H3/t8-,9?,10-/m0/s1
InChIKeyOLCAINPKAAQFIN-SMILAEQMSA-N
MW212.36 g/mol
LogP2.32
Rot. Bonds1

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

[(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane (PubChem CID 123304059) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is [(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane.

Molecular Properties

Compound Name[(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane
PubChem CID123304059
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name[(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane
SMILESC[SiH](C)C1CC=C[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C11H20O2Si/c1-11(2)12-8-6-5-7-9(14(3)4)10(8)13-11/h5-6,8-10,14H,7H2,1-4H3/t8-,9?,10-/m0/s1
InChIKeyOLCAINPKAAQFIN-SMILAEQMSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,5R,7aR)-5-fluoro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 15965778
[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-tert-butyl-dimethylsilane
CID 11161517
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
1,4-Dioxaspiro[4.5]dec-6-en-6-yl(trimethyl)silane
CID 85728290
[(3aS,4S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-4-yl]-trimethylsilane
CID 15965749
(3aS,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 58805455
(3aS,5S,7aR)-5-fluoro-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 15965779
(3aR,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 11768786
[(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

Frequently Asked Questions

What is the IUPAC name of [(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane?
The IUPAC name of [(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane (CID 123304059) is [(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane.
What is the SMILES notation for [(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane?
The canonical SMILES for [(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane is C[SiH](C)C1CC=C[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of [(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane?
The InChIKey is OLCAINPKAAQFIN-SMILAEQMSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-11(2)12-8-6-5-7-9(14(3)4)10(8)13-11/h5-6,8-10,14H,7H2,1-4H3/t8-,9?,10-/m0/s1.
What are the key properties of [(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane?
[(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane has a molecular weight of 212.36 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]-dimethylsilane is sourced from PubChem (CID 123304059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).