(6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol

C19H40O7Si2 — CID 10972165

IUPAC(6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol
SMILESCO[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](O)[C@H]1O
InChIInChI=1S/C19H40O7Si2/c1-11(2)27(12(3)4)23-10-15-18(16(20)17(21)19(22-9)24-15)25-28(26-27,13(5)6)14(7)8/h11-21H,10H2,1-9H3/t15-,16-,17-,18-,19+/m1/s1
InChIKeyZDJWUBKMQQAWOE-NNIGNNQHSA-N
MW436.69 g/mol
LogP3.04
Rot. Bonds5

About (6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol

(6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol (PubChem CID 10972165) has the molecular formula C19H40O7Si2 and a molecular weight of 436.69 g/mol. Its IUPAC name is (6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol.

Molecular Properties

Compound Name(6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol
PubChem CID10972165
Molecular FormulaC19H40O7Si2
Molecular Weight436.69 g/mol
Exact Mass436.23
IUPAC Name(6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol
SMILESCO[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](O)[C@H]1O
InChIInChI=1S/C19H40O7Si2/c1-11(2)27(12(3)4)23-10-15-18(16(20)17(21)19(22-9)24-15)25-28(26-27,13(5)6)14(7)8/h11-21H,10H2,1-9H3/t15-,16-,17-,18-,19+/m1/s1
InChIKeyZDJWUBKMQQAWOE-NNIGNNQHSA-N
XLogP3.04
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.69
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

(6aR,8R,9R,9aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol;chloro-[chloro-di(propan-2-yl)silyl]oxy-di(propan-2-yl)silane;(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 167634545
(6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol
CID 101274072
(6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 90814372
[(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxy-diphenylphosphane
CID 10769739
(6aR,8R,9S,9aS)-8-ethenyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 132580615
(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-9-prop-2-ynoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 153493513
(6aR,9R,9aS)-9-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 174064375
[(6aR,8S,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] diphenyl phosphate
CID 11125086
(6aR,8R,9S,9aR)-8-(6-chloropurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 15051907
(6aR,8R,9R,10R,10aS)-8-indol-1-yl-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol
CID 167492254
(6aR,8S,9S,9aS)-8-(2,6-dichloro-3-pyridinyl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 14805176
CID 88917813
CID 88917813

Frequently Asked Questions

What is the IUPAC name of (6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol?
The IUPAC name of (6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol (CID 10972165) is (6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol.
What is the SMILES notation for (6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol?
The canonical SMILES for (6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol is CO[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](O)[C@H]1O.
What is the InChIKey of (6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol?
The InChIKey is ZDJWUBKMQQAWOE-NNIGNNQHSA-N. The full InChI is InChI=1S/C19H40O7Si2/c1-11(2)27(12(3)4)23-10-15-18(16(20)17(21)19(22-9)24-15)25-28(26-27,13(5)6)14(7)8/h11-21H,10H2,1-9H3/t15-,16-,17-,18-,19+/m1/s1.
What are the key properties of (6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol?
(6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol has a molecular weight of 436.69 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,8S,9R,10R,10aS)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol is sourced from PubChem (CID 10972165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).