[(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane

C16H30O3Si — CID 14811208

IUPAC[(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)C[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C16H30O3Si/c1-11-9-12(19-20(7,8)15(2,3)4)10-13-14(11)18-16(5,6)17-13/h9,11,13-14H,10H2,1-8H3/t11-,13-,14+/m1/s1
InChIKeyDQXMNEVIOPNEOU-BNOWGMLFSA-N
MW298.50 g/mol
LogP4.45
Rot. Bonds2

About [(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane

[(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 14811208) has the molecular formula C16H30O3Si and a molecular weight of 298.50 g/mol. Its IUPAC name is [(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID14811208
Molecular FormulaC16H30O3Si
Molecular Weight298.50 g/mol
Exact Mass298.20
IUPAC Name[(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)C[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C16H30O3Si/c1-11-9-12(19-20(7,8)15(2,3)4)10-13-14(11)18-16(5,6)17-13/h9,11,13-14H,10H2,1-8H3/t11-,13-,14+/m1/s1
InChIKeyDQXMNEVIOPNEOU-BNOWGMLFSA-N
XLogP4.45
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-(1,4-dioxaspiro[4.5]dec-7-en-8-yloxy)-dimethylsilane
CID 73292067
[(3aR,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-triethylsilane
CID 134969663
[(2S,3S,4aR,5S,8aR)-2,3-dimethoxy-2,3,5-trimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-7-yl]oxy-trimethylsilane
CID 164681097
(1,4-Dioxaspiro[4.5]dec-7-en-8-yloxy) [tri(propan-2-yl)]silane
CID 11120552
Trimethyl-[(7-methyl-1,4-dioxaspiro[4.5]dec-8-en-8-yl)oxy]silane
CID 13296857
2-[(4S,5R)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 58304953
tert-butyl-[2-[(4S,5R)-2,2-dimethyl-5-[(Z)-6-methylhept-3-en-2-yl]-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 60124818
tert-butyl-[2-[(4S,5R)-5-[(Z,5R)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 60124859
tert-butyl-[2-[(4S,5R)-5-[(Z,5S)-5,6-dimethylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 68373432
2-[(4S)-5-[(Z,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 89902072
[(2S)-2-[(4S,5S)-5-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-tert-butyl-dimethylsilane
CID 10991096
tert-butyl-[(2S)-2-[(4S,5S)-5-[(E,2S,5S)-5-[(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane
CID 11125034

Frequently Asked Questions

What is the IUPAC name of [(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane (CID 14811208) is [(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane is C[C@@H]1C=C(O[Si](C)(C)C(C)(C)C)C[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of [(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is DQXMNEVIOPNEOU-BNOWGMLFSA-N. The full InChI is InChI=1S/C16H30O3Si/c1-11-9-12(19-20(7,8)15(2,3)4)10-13-14(11)18-16(5,6)17-13/h9,11,13-14H,10H2,1-8H3/t11-,13-,14+/m1/s1.
What are the key properties of [(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 298.50 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7R,7aS)-2,2,7-trimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 14811208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).