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

C21H35NO3Si — CID 170556670

IUPAC[(3aS,4R,6aR)-5-benzyl-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](CO[Si](C)(C)C(C)(C)C)N(Cc3ccccc3)C[C@H]2O1
InChIInChI=1S/C21H35NO3Si/c1-20(2,3)26(6,7)23-15-17-19-18(24-21(4,5)25-19)14-22(17)13-16-11-9-8-10-12-16/h8-12,17-19H,13-15H2,1-7H3/t17-,18-,19+/m1/s1
InChIKeyQQIXCHPHMBTTIZ-QRVBRYPASA-N
MW377.60 g/mol
LogP4.41
Rot. Bonds5

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

[(3aS,4R,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 170556670) has the molecular formula C21H35NO3Si and a molecular weight of 377.60 g/mol. Its IUPAC name is [(3aS,4R,6aR)-5-benzyl-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[(3aS,4R,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID170556670
Molecular FormulaC21H35NO3Si
Molecular Weight377.60 g/mol
Exact Mass377.24
IUPAC Name[(3aS,4R,6aR)-5-benzyl-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](CO[Si](C)(C)C(C)(C)C)N(Cc3ccccc3)C[C@H]2O1
InChIInChI=1S/C21H35NO3Si/c1-20(2,3)26(6,7)23-15-17-19-18(24-21(4,5)25-19)14-22(17)13-16-11-9-8-10-12-16/h8-12,17-19H,13-15H2,1-7H3/t17-,18-,19+/m1/s1
InChIKeyQQIXCHPHMBTTIZ-QRVBRYPASA-N
XLogP4.41
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 54.41
H-Bond Donors ≤ 50
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,4R,6aR)-5-benzyl-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 [(3aS,4R,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane (CID 170556670) is [(3aS,4R,6aR)-5-benzyl-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 [(3aS,4R,6aR)-5-benzyl-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 [(3aS,4R,6aR)-5-benzyl-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](CO[Si](C)(C)C(C)(C)C)N(Cc3ccccc3)C[C@H]2O1.
What is the InChIKey of [(3aS,4R,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is QQIXCHPHMBTTIZ-QRVBRYPASA-N. The full InChI is InChI=1S/C21H35NO3Si/c1-20(2,3)26(6,7)23-15-17-19-18(24-21(4,5)25-19)14-22(17)13-16-11-9-8-10-12-16/h8-12,17-19H,13-15H2,1-7H3/t17-,18-,19+/m1/s1.
What are the key properties of [(3aS,4R,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methoxy-tert-butyl-dimethylsilane?
[(3aS,4R,6aR)-5-benzyl-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 377.60 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,4R,6aR)-5-benzyl-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 170556670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).