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

C15H27FO4Si — CID 71614258

IUPAC[(3aR,4E,6R,6aR)-4-(fluoromethylidene)-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)[C@@H]2O1
InChIInChI=1S/C15H27FO4Si/c1-14(2,3)21(6,7)17-9-11-13-12(10(8-16)18-11)19-15(4,5)20-13/h8,11-13H,9H2,1-7H3/b10-8+/t11-,12+,13-/m1/s1
InChIKeyCLXQZCYRWFHUCG-JDDPIIRNSA-N
MW318.46 g/mol
LogP3.74
Rot. Bonds3

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

[(3aR,4E,6R,6aR)-4-(fluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 71614258) has the molecular formula C15H27FO4Si and a molecular weight of 318.46 g/mol. Its IUPAC name is [(3aR,4E,6R,6aR)-4-(fluoromethylidene)-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,4E,6R,6aR)-4-(fluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID71614258
Molecular FormulaC15H27FO4Si
Molecular Weight318.46 g/mol
Exact Mass318.17
IUPAC Name[(3aR,4E,6R,6aR)-4-(fluoromethylidene)-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)[C@@H]2O1
InChIInChI=1S/C15H27FO4Si/c1-14(2,3)21(6,7)17-9-11-13-12(10(8-16)18-11)19-15(4,5)20-13/h8,11-13H,9H2,1-7H3/b10-8+/t11-,12+,13-/m1/s1
InChIKeyCLXQZCYRWFHUCG-JDDPIIRNSA-N
XLogP3.74
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.74
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 [(3aR,4E,6R,6aR)-4-(fluoromethylidene)-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,4E,6R,6aR)-4-(fluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (CID 71614258) is [(3aR,4E,6R,6aR)-4-(fluoromethylidene)-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,4E,6R,6aR)-4-(fluoromethylidene)-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,4E,6R,6aR)-4-(fluoromethylidene)-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)[C@@H]2O1.
What is the InChIKey of [(3aR,4E,6R,6aR)-4-(fluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is CLXQZCYRWFHUCG-JDDPIIRNSA-N. The full InChI is InChI=1S/C15H27FO4Si/c1-14(2,3)21(6,7)17-9-11-13-12(10(8-16)18-11)19-15(4,5)20-13/h8,11-13H,9H2,1-7H3/b10-8+/t11-,12+,13-/m1/s1.
What are the key properties of [(3aR,4E,6R,6aR)-4-(fluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
[(3aR,4E,6R,6aR)-4-(fluoromethylidene)-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 318.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4E,6R,6aR)-4-(fluoromethylidene)-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 71614258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).