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

C14H28ClNO3Si — CID 132577881

IUPAC[(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@H](CN(Cl)[C@@H]2CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28ClNO3Si/c1-13(2,3)20(6,7)17-9-10-12-11(8-16(10)15)18-14(4,5)19-12/h10-12H,8-9H2,1-7H3/t10-,11+,12-/m1/s1
InChIKeyXZTYYFYYSCDTKU-GRYCIOLGSA-N
MW321.92 g/mol
LogP3.37
Rot. Bonds3

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

[(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 132577881) has the molecular formula C14H28ClNO3Si and a molecular weight of 321.92 g/mol. Its IUPAC name is [(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID132577881
Molecular FormulaC14H28ClNO3Si
Molecular Weight321.92 g/mol
Exact Mass321.15
IUPAC Name[(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@H]2[C@H](CN(Cl)[C@@H]2CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C14H28ClNO3Si/c1-13(2,3)20(6,7)17-9-10-12-11(8-16(10)15)18-14(4,5)19-12/h10-12H,8-9H2,1-7H3/t10-,11+,12-/m1/s1
InChIKeyXZTYYFYYSCDTKU-GRYCIOLGSA-N
XLogP3.37
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.92
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane (CID 132577881) is [(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane is CC1(C)O[C@H]2[C@H](CN(Cl)[C@@H]2CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of [(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is XZTYYFYYSCDTKU-GRYCIOLGSA-N. The full InChI is InChI=1S/C14H28ClNO3Si/c1-13(2,3)20(6,7)17-9-10-12-11(8-16(10)15)18-14(4,5)19-12/h10-12H,8-9H2,1-7H3/t10-,11+,12-/m1/s1.
What are the key properties of [(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane?
[(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 321.92 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4R,6aS)-5-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 132577881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).