2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane

C20H33NO3Si — CID 23731089

IUPAC2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1OO[C@]2(C)[C@H]1CCN2c1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-19(2,3)25(5,6)22-15-13-18-17-12-14-21(20(17,4)24-23-18)16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18-,20+/m0/s1
InChIKeyPDZVWPRHUZYHSL-CMKODMSKSA-N
MW363.57 g/mol
LogP4.97
Rot. Bonds5

About 2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane

2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 23731089) has the molecular formula C20H33NO3Si and a molecular weight of 363.57 g/mol. Its IUPAC name is 2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane
PubChem CID23731089
Molecular FormulaC20H33NO3Si
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC Name2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1OO[C@]2(C)[C@H]1CCN2c1ccccc1
InChIInChI=1S/C20H33NO3Si/c1-19(2,3)25(5,6)22-15-13-18-17-12-14-21(20(17,4)24-23-18)16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18-,20+/m0/s1
InChIKeyPDZVWPRHUZYHSL-CMKODMSKSA-N
XLogP4.97
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane (CID 23731089) is 2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC[C@@H]1OO[C@]2(C)[C@H]1CCN2c1ccccc1.
What is the InChIKey of 2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane?
The InChIKey is PDZVWPRHUZYHSL-CMKODMSKSA-N. The full InChI is InChI=1S/C20H33NO3Si/c1-19(2,3)25(5,6)22-15-13-18-17-12-14-21(20(17,4)24-23-18)16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18-,20+/m0/s1.
What are the key properties of 2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane?
2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 363.57 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,3aS,6aR)-6a-methyl-6-phenyl-3,3a,4,5-tetrahydrodioxolo[3,4-b]pyrrol-3-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 23731089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).