(4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline

C15H28O4Si — CID 10881137

IUPAC(4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
SMILESCO[C@@H]1C=C[C@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O1
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(15(4,5)6)17-10-12-11(19-20)8-9-13(16-7)18-12/h8-9,11-13H,10H2,1-7H3/t11-,12-,13+/m1/s1
InChIKeyXPFWPFCAFYWISS-UPJWGTAASA-N
MW300.47 g/mol
LogP3.37
Rot. Bonds1

About (4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline

(4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline (PubChem CID 10881137) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline.

Molecular Properties

Compound Name(4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
PubChem CID10881137
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline
SMILESCO[C@@H]1C=C[C@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O1
InChIInChI=1S/C15H28O4Si/c1-14(2,3)20(15(4,5)6)17-10-12-11(19-20)8-9-13(16-7)18-12/h8-9,11-13H,10H2,1-7H3/t11-,12-,13+/m1/s1
InChIKeyXPFWPFCAFYWISS-UPJWGTAASA-N
XLogP3.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline?
The IUPAC name of (4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline (CID 10881137) is (4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline.
What is the SMILES notation for (4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline?
The canonical SMILES for (4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline is CO[C@@H]1C=C[C@H]2O[Si](C(C)(C)C)(C(C)(C)C)OC[C@H]2O1.
What is the InChIKey of (4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline?
The InChIKey is XPFWPFCAFYWISS-UPJWGTAASA-N. The full InChI is InChI=1S/C15H28O4Si/c1-14(2,3)20(15(4,5)6)17-10-12-11(19-20)8-9-13(16-7)18-12/h8-9,11-13H,10H2,1-7H3/t11-,12-,13+/m1/s1.
What are the key properties of (4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline?
(4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline has a molecular weight of 300.47 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,6S,8aR)-2,2-ditert-butyl-6-methoxy-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasiline is sourced from PubChem (CID 10881137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).