[(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane

C17H30F2O5Si — CID 102586258

IUPAC[(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C1=C(F)F
InChIInChI=1S/C17H30F2O5Si/c1-16(2,3)25(7,8)24-13-11(14(18)19)15(20-6)22-10-9-21-17(4,5)23-12(10)13/h10,12-13,15H,9H2,1-8H3/t10-,12-,13-,15+/m1/s1
InChIKeyJBUYJZANBMDWPH-OPQSFPLASA-N
MW380.50 g/mol
LogP4.05
Rot. Bonds3

About [(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane

[(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102586258) has the molecular formula C17H30F2O5Si and a molecular weight of 380.50 g/mol. Its IUPAC name is [(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
PubChem CID102586258
Molecular FormulaC17H30F2O5Si
Molecular Weight380.50 g/mol
Exact Mass380.18
IUPAC Name[(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C1=C(F)F
InChIInChI=1S/C17H30F2O5Si/c1-16(2,3)25(7,8)24-13-11(14(18)19)15(20-6)22-10-9-21-17(4,5)23-12(10)13/h10,12-13,15H,9H2,1-8H3/t10-,12-,13-,15+/m1/s1
InChIKeyJBUYJZANBMDWPH-OPQSFPLASA-N
XLogP4.05
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane (CID 102586258) is [(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane is CO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)C1=C(F)F.
What is the InChIKey of [(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JBUYJZANBMDWPH-OPQSFPLASA-N. The full InChI is InChI=1S/C17H30F2O5Si/c1-16(2,3)25(7,8)24-13-11(14(18)19)15(20-6)22-10-9-21-17(4,5)23-12(10)13/h10,12-13,15H,9H2,1-8H3/t10-,12-,13-,15+/m1/s1.
What are the key properties of [(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane?
[(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 380.50 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,6S,8R,8aR)-7-(difluoromethylidene)-6-methoxy-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102586258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).