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

C15H26F2O4Si — CID 10860657

IUPAC[(3aR,6R,6aR)-4-(difluoromethylidene)-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)OC(=C(F)F)[C@@H]2O1
InChIInChI=1S/C15H26F2O4Si/c1-14(2,3)22(6,7)18-8-9-10-11(12(19-9)13(16)17)21-15(4,5)20-10/h9-11H,8H2,1-7H3/t9-,10-,11-/m1/s1
InChIKeyIIUWAUSUTWYAPC-GMTAPVOTSA-N
MW336.45 g/mol
LogP4.04
Rot. Bonds3

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

[(3aR,6R,6aR)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 10860657) has the molecular formula C15H26F2O4Si and a molecular weight of 336.45 g/mol. Its IUPAC name is [(3aR,6R,6aR)-4-(difluoromethylidene)-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,6R,6aR)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID10860657
Molecular FormulaC15H26F2O4Si
Molecular Weight336.45 g/mol
Exact Mass336.16
IUPAC Name[(3aR,6R,6aR)-4-(difluoromethylidene)-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)OC(=C(F)F)[C@@H]2O1
InChIInChI=1S/C15H26F2O4Si/c1-14(2,3)22(6,7)18-8-9-10-11(12(19-9)13(16)17)21-15(4,5)20-10/h9-11H,8H2,1-7H3/t9-,10-,11-/m1/s1
InChIKeyIIUWAUSUTWYAPC-GMTAPVOTSA-N
XLogP4.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(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
[(3aR,4Z,6R,6aR)-4-(1-fluoroethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 71614460
[(Z)-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ylidene]methyl]-trimethylsilane
CID 134982677
tert-butyl-[[(6R)-2,2-dimethyl-4-methylidene-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy]-dimethylsilane
CID 135045767
(3aR,6R,6aR)-4-(difluoromethylidene)-6-(methoxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole
CID 101701031
tert-butyl-[[(4S,5S)-5-(1,1-difluoroprop-1-en-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 101994279
[(3aR,4Z,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 102198593
[(E)-[(3aR,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-ylidene]methyl]-trimethylsilane
CID 11111518
[(3aR,6R,6aR)-2,2-dimethyl-4-methylidene-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane
CID 14679622

Frequently Asked Questions

What is the IUPAC name of [(3aR,6R,6aR)-4-(difluoromethylidene)-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,6R,6aR)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane (CID 10860657) is [(3aR,6R,6aR)-4-(difluoromethylidene)-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,6R,6aR)-4-(difluoromethylidene)-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,6R,6aR)-4-(difluoromethylidene)-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)OC(=C(F)F)[C@@H]2O1.
What is the InChIKey of [(3aR,6R,6aR)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is IIUWAUSUTWYAPC-GMTAPVOTSA-N. The full InChI is InChI=1S/C15H26F2O4Si/c1-14(2,3)22(6,7)18-8-9-10-11(12(19-9)13(16)17)21-15(4,5)20-10/h9-11H,8H2,1-7H3/t9-,10-,11-/m1/s1.
What are the key properties of [(3aR,6R,6aR)-4-(difluoromethylidene)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]methoxy-tert-butyl-dimethylsilane?
[(3aR,6R,6aR)-4-(difluoromethylidene)-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 336.45 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6R,6aR)-4-(difluoromethylidene)-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 10860657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).