(6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol

C20H40O6Si2 — CID 101274079

IUPAC(6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol
SMILESC=CCO[C@@H]1C(O)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/C20H40O6Si2/c1-10-11-22-19-18-17(24-20(19)21)12-23-27(13(2)3,14(4)5)26-28(25-18,15(6)7)16(8)9/h10,13-21H,1,11-12H2,2-9H3/t17-,18-,19+,20?/m1/s1
InChIKeyRTTDZYOQCGAHMK-WRURNZQNSA-N
MW432.71 g/mol
LogP4.23
Rot. Bonds7

About (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol

(6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol (PubChem CID 101274079) has the molecular formula C20H40O6Si2 and a molecular weight of 432.71 g/mol. Its IUPAC name is (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol.

Molecular Properties

Compound Name(6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol
PubChem CID101274079
Molecular FormulaC20H40O6Si2
Molecular Weight432.71 g/mol
Exact Mass432.24
IUPAC Name(6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol
SMILESC=CCO[C@@H]1C(O)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/C20H40O6Si2/c1-10-11-22-19-18-17(24-20(19)21)12-23-27(13(2)3,14(4)5)26-28(25-18,15(6)7)16(8)9/h10,13-21H,1,11-12H2,2-9H3/t17-,18-,19+,20?/m1/s1
InChIKeyRTTDZYOQCGAHMK-WRURNZQNSA-N
XLogP4.23
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.71
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

(5aR,8S,9S,9aR)-8-(allyloxy)-2,2,4,4-tetraisopropyltetrahydro-6H-pyrano[3,4-f][1,3,5,2,4]trioxadisilepin-9-ol
CID 166177063
(6aR,9R,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 54168114
(6aR,9R,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol
CID 56626064
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxymethyl]oxolan-2-yl]methoxy]oxane-3,4,5-triol
CID 67842012
(6aR,8S,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 91605651
(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 164930812
(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;(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 167553078
3-[[(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]propan-1-ol;(6aR,8R,9R,9aR)-8-methoxy-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine
CID 167613608
(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
(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,8R,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
CID 101274075
(6aR,8S,9R,10R,10aS)-2,2,4,4-tetra(propan-2-yl)-8-prop-2-enoxy-6,6a,8,9,10,10a-hexahydropyrano[3,2-f][1,3,5,2,4]trioxadisilocine-9,10-diol
CID 101635181

Frequently Asked Questions

What is the IUPAC name of (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol?
The IUPAC name of (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol (CID 101274079) is (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol.
What is the SMILES notation for (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol?
The canonical SMILES for (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol is C=CCO[C@@H]1C(O)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,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol?
The InChIKey is RTTDZYOQCGAHMK-WRURNZQNSA-N. The full InChI is InChI=1S/C20H40O6Si2/c1-10-11-22-19-18-17(24-20(19)21)12-23-27(13(2)3,14(4)5)26-28(25-18,15(6)7)16(8)9/h10,13-21H,1,11-12H2,2-9H3/t17-,18-,19+,20?/m1/s1.
What are the key properties of (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol?
(6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol has a molecular weight of 432.71 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-9-prop-2-enoxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-ol is sourced from PubChem (CID 101274079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).