(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

C20H40O6Si2 — CID 101274075

IUPAC(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
SMILESC=CCO[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]1O
InChIInChI=1S/C20H40O6Si2/c1-10-11-22-20-18(21)19-17(24-20)12-23-27(13(2)3,14(4)5)26-28(25-19,15(6)7)16(8)9/h10,13-21H,1,11-12H2,2-9H3/t17-,18+,19-,20-/m1/s1
InChIKeyCCDUOFBRQGKEFQ-IYWMVGAKSA-N
MW432.71 g/mol
LogP4.23
Rot. Bonds7

About (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

(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 (PubChem CID 101274075) has the molecular formula C20H40O6Si2 and a molecular weight of 432.71 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID101274075
Molecular FormulaC20H40O6Si2
Molecular Weight432.71 g/mol
Exact Mass432.24
IUPAC Name(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
SMILESC=CCO[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]1O
InChIInChI=1S/C20H40O6Si2/c1-10-11-22-20-18(21)19-17(24-20)12-23-27(13(2)3,14(4)5)26-28(25-19,15(6)7)16(8)9/h10,13-21H,1,11-12H2,2-9H3/t17-,18+,19-,20-/m1/s1
InChIKeyCCDUOFBRQGKEFQ-IYWMVGAKSA-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,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 with MolForge

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Related Compounds

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CID 166177063
(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
CID 10927645
(6aR,8S,9S,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
CID 11395656
(6aR,8S,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
CID 11761326
(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,6R)-2-(hydroxymethyl)-6-[3-[methyl-bis(trimethylsilyloxy)silyl]prop-2-enoxy]oxane-3,4,5-triol
CID 67842010
(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,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
CID 69926124
(6aR,8R,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-ol
CID 141664961
(6aR,8R,9S,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
CID 142493980
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=CCO[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]1O.
What is the InChIKey of (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?
The InChIKey is CCDUOFBRQGKEFQ-IYWMVGAKSA-N. The full InChI is InChI=1S/C20H40O6Si2/c1-10-11-22-20-18(21)19-17(24-20)12-23-27(13(2)3,14(4)5)26-28(25-19,15(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,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?
(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 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,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 is sourced from PubChem (CID 101274075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).