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

C14H29NO3Si — CID 11652182

IUPAC[(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@H](CO[Si](C)(C)C(C)(C)C)NC[C@H]2O1
InChIInChI=1S/C14H29NO3Si/c1-13(2,3)19(6,7)16-9-10-12-11(8-15-10)17-14(4,5)18-12/h10-12,15H,8-9H2,1-7H3/t10-,11+,12-/m0/s1
InChIKeyOJQCXEITXMMYOK-TUAOUCFPSA-N
MW287.48 g/mol
LogP2.50
Rot. Bonds3

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

[(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 11652182) has the molecular formula C14H29NO3Si and a molecular weight of 287.48 g/mol. Its IUPAC name is [(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID11652182
Molecular FormulaC14H29NO3Si
Molecular Weight287.48 g/mol
Exact Mass287.19
IUPAC Name[(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@H](CO[Si](C)(C)C(C)(C)C)NC[C@H]2O1
InChIInChI=1S/C14H29NO3Si/c1-13(2,3)19(6,7)16-9-10-12-11(8-15-10)17-14(4,5)18-12/h10-12,15H,8-9H2,1-7H3/t10-,11+,12-/m0/s1
InChIKeyOJQCXEITXMMYOK-TUAOUCFPSA-N
XLogP2.50
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 52.50
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 [(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane (CID 11652182) is [(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane is CC1(C)O[C@H]2[C@H](CO[Si](C)(C)C(C)(C)C)NC[C@H]2O1.
What is the InChIKey of [(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is OJQCXEITXMMYOK-TUAOUCFPSA-N. The full InChI is InChI=1S/C14H29NO3Si/c1-13(2,3)19(6,7)16-9-10-12-11(8-15-10)17-14(4,5)18-12/h10-12,15H,8-9H2,1-7H3/t10-,11+,12-/m0/s1.
What are the key properties of [(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane?
[(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 287.48 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4S,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11652182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).