(6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol

C22H44O7Si2 — CID 10972830

IUPAC(6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
SMILESC=CCO[C@@H]1[C@H](O)[C@@H](OC)O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]12
InChIInChI=1S/C22H44O7Si2/c1-11-12-25-21-19(23)22(24-10)27-18-13-26-30(14(2)3,15(4)5)29-31(16(6)7,17(8)9)28-20(18)21/h11,14-23H,1,12-13H2,2-10H3/t18-,19+,20-,21-,22+/m1/s1
InChIKeyDXWAWUGKILBTIC-YHINDDMVSA-N
MW476.76 g/mol
LogP4.25
Rot. Bonds8

About (6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol

(6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol (PubChem CID 10972830) has the molecular formula C22H44O7Si2 and a molecular weight of 476.76 g/mol. Its IUPAC name is (6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol.

Molecular Properties

Compound Name(6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
PubChem CID10972830
Molecular FormulaC22H44O7Si2
Molecular Weight476.76 g/mol
Exact Mass476.26
IUPAC Name(6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
SMILESC=CCO[C@@H]1[C@H](O)[C@@H](OC)O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]12
InChIInChI=1S/C22H44O7Si2/c1-11-12-25-21-19(23)22(24-10)27-18-13-26-30(14(2)3,15(4)5)29-31(16(6)7,17(8)9)28-20(18)21/h11,14-23H,1,12-13H2,2-10H3/t18-,19+,20-,21-,22+/m1/s1
InChIKeyDXWAWUGKILBTIC-YHINDDMVSA-N
XLogP4.25
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.76
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol?
The IUPAC name of (6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol (CID 10972830) is (6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol.
What is the SMILES notation for (6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol?
The canonical SMILES for (6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol is C=CCO[C@@H]1[C@H](O)[C@@H](OC)O[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]12.
What is the InChIKey of (6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol?
The InChIKey is DXWAWUGKILBTIC-YHINDDMVSA-N. The full InChI is InChI=1S/C22H44O7Si2/c1-11-12-25-21-19(23)22(24-10)27-18-13-26-30(14(2)3,15(4)5)29-31(16(6)7,17(8)9)28-20(18)21/h11,14-23H,1,12-13H2,2-10H3/t18-,19+,20-,21-,22+/m1/s1.
What are the key properties of (6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol?
(6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol has a molecular weight of 476.76 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,8S,9S,10R,10aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-10-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol is sourced from PubChem (CID 10972830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).