(6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine

C21H42O5Si2 — CID 167457352

IUPAC(6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
SMILESC=CC[C@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1OC
InChIInChI=1S/C21H42O5Si2/c1-11-12-18-20(22-10)21-19(24-18)13-23-27(14(2)3,15(4)5)26-28(25-21,16(6)7)17(8)9/h11,14-21H,1,12-13H2,2-10H3/t18-,19-,20+,21-/m1/s1
InChIKeyXPTYFHLXPSUUFI-MXEMCNAFSA-N
MW430.73 g/mol
LogP5.30
Rot. Bonds7

About (6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine

(6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine (PubChem CID 167457352) has the molecular formula C21H42O5Si2 and a molecular weight of 430.73 g/mol. Its IUPAC name is (6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine.

Molecular Properties

Compound Name(6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
PubChem CID167457352
Molecular FormulaC21H42O5Si2
Molecular Weight430.73 g/mol
Exact Mass430.26
IUPAC Name(6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
SMILESC=CC[C@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1OC
InChIInChI=1S/C21H42O5Si2/c1-11-12-18-20(22-10)21-19(24-18)13-23-27(14(2)3,15(4)5)26-28(25-21,16(6)7)17(8)9/h11,14-21H,1,12-13H2,2-10H3/t18-,19-,20+,21-/m1/s1
InChIKeyXPTYFHLXPSUUFI-MXEMCNAFSA-N
XLogP5.30
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.73
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine?
The IUPAC name of (6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine (CID 167457352) is (6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine.
What is the SMILES notation for (6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine?
The canonical SMILES for (6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine is C=CC[C@H]1O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]2[C@H]1OC.
What is the InChIKey of (6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine?
The InChIKey is XPTYFHLXPSUUFI-MXEMCNAFSA-N. The full InChI is InChI=1S/C21H42O5Si2/c1-11-12-18-20(22-10)21-19(24-18)13-23-27(14(2)3,15(4)5)26-28(25-21,16(6)7)17(8)9/h11,14-21H,1,12-13H2,2-10H3/t18-,19-,20+,21-/m1/s1.
What are the key properties of (6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine?
(6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine has a molecular weight of 430.73 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,8R,9S,9aR)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enyl-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine is sourced from PubChem (CID 167457352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).