[(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane

C20H36FNO5Si — CID 71614648

IUPAC[(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O/C(=C(\F)CN3CCOCC3)[C@@H]2O1
InChIInChI=1S/C20H36FNO5Si/c1-19(2,3)28(6,7)24-13-15-17-18(27-20(4,5)26-17)16(25-15)14(21)12-22-8-10-23-11-9-22/h15,17-18H,8-13H2,1-7H3/b16-14-/t15-,17-,18+/m1/s1
InChIKeyDBSYUTUOGLUOOO-JLGPTTMLSA-N
MW417.59 g/mol
LogP3.44
Rot. Bonds5

About [(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane

[(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 71614648) has the molecular formula C20H36FNO5Si and a molecular weight of 417.59 g/mol. Its IUPAC name is [(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID71614648
Molecular FormulaC20H36FNO5Si
Molecular Weight417.59 g/mol
Exact Mass417.23
IUPAC Name[(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O/C(=C(\F)CN3CCOCC3)[C@@H]2O1
InChIInChI=1S/C20H36FNO5Si/c1-19(2,3)28(6,7)24-13-15-17-18(27-20(4,5)26-17)16(25-15)14(21)12-22-8-10-23-11-9-22/h15,17-18H,8-13H2,1-7H3/b16-14-/t15-,17-,18+/m1/s1
InChIKeyDBSYUTUOGLUOOO-JLGPTTMLSA-N
XLogP3.44
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (CID 71614648) is [(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane is CC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O/C(=C(\F)CN3CCOCC3)[C@@H]2O1.
What is the InChIKey of [(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is DBSYUTUOGLUOOO-JLGPTTMLSA-N. The full InChI is InChI=1S/C20H36FNO5Si/c1-19(2,3)28(6,7)24-13-15-17-18(27-20(4,5)26-17)16(25-15)14(21)12-22-8-10-23-11-9-22/h15,17-18H,8-13H2,1-7H3/b16-14-/t15-,17-,18+/m1/s1.
What are the key properties of [(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
[(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 417.59 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4Z,6R,6aR)-4-(1-fluoro-2-morpholin-4-ylethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 71614648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).