[(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane

C14H29NO4Si — CID 87940846

IUPAC[(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@H](C[NH+]([O-])[C@@H]2CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H29NO4Si/c1-13(2,3)20(6,7)17-9-10-12-11(8-15(10)16)18-14(4,5)19-12/h10-12,15H,8-9H2,1-7H3/t10-,11+,12-/m1/s1
InChIKeyDUIVYVLHLLYJTF-GRYCIOLGSA-N
MW303.48 g/mol
LogP1.29
Rot. Bonds3

About [(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane

[(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 87940846) has the molecular formula C14H29NO4Si and a molecular weight of 303.48 g/mol. Its IUPAC name is [(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID87940846
Molecular FormulaC14H29NO4Si
Molecular Weight303.48 g/mol
Exact Mass303.19
IUPAC Name[(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@H](C[NH+]([O-])[C@@H]2CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H29NO4Si/c1-13(2,3)20(6,7)17-9-10-12-11(8-15(10)16)18-14(4,5)19-12/h10-12,15H,8-9H2,1-7H3/t10-,11+,12-/m1/s1
InChIKeyDUIVYVLHLLYJTF-GRYCIOLGSA-N
XLogP1.29
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane (CID 87940846) is [(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane is CC1(C)O[C@H]2[C@H](C[NH+]([O-])[C@@H]2CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is DUIVYVLHLLYJTF-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H29NO4Si/c1-13(2,3)20(6,7)17-9-10-12-11(8-15(10)16)18-14(4,5)19-12/h10-12,15H,8-9H2,1-7H3/t10-,11+,12-/m1/s1.
What are the key properties of [(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane?
[(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 303.48 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4R,6aS)-2,2-dimethyl-5-oxido-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-5-ium-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 87940846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).