(2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine

C21H42O4Si2 — CID 71762900

IUPAC(2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine
SMILESC=CC[C@H]1C[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O1
InChIInChI=1S/C21H42O4Si2/c1-10-11-20-12-19-13-22-26(15(2)3,16(4)5)25-27(17(6)7,18(8)9)23-14-21(19)24-20/h10,15-21H,1,11-14H2,2-9H3/t19-,20+,21-/m1/s1
InChIKeyWDNYZGYTNSRKNA-QHAWAJNXSA-N
MW414.74 g/mol
LogP5.92
Rot. Bonds6

About (2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine

(2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine (PubChem CID 71762900) has the molecular formula C21H42O4Si2 and a molecular weight of 414.74 g/mol. Its IUPAC name is (2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine.

Molecular Properties

Compound Name(2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine
PubChem CID71762900
Molecular FormulaC21H42O4Si2
Molecular Weight414.74 g/mol
Exact Mass414.26
IUPAC Name(2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine
SMILESC=CC[C@H]1C[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O1
InChIInChI=1S/C21H42O4Si2/c1-10-11-20-12-19-13-22-26(15(2)3,16(4)5)25-27(17(6)7,18(8)9)23-14-21(19)24-20/h10,15-21H,1,11-14H2,2-9H3/t19-,20+,21-/m1/s1
InChIKeyWDNYZGYTNSRKNA-QHAWAJNXSA-N
XLogP5.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.74
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine?
The IUPAC name of (2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine (CID 71762900) is (2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine.
What is the SMILES notation for (2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine?
The canonical SMILES for (2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine is C=CC[C@H]1C[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O1.
What is the InChIKey of (2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine?
The InChIKey is WDNYZGYTNSRKNA-QHAWAJNXSA-N. The full InChI is InChI=1S/C21H42O4Si2/c1-10-11-20-12-19-13-22-26(15(2)3,16(4)5)25-27(17(6)7,18(8)9)23-14-21(19)24-20/h10,15-21H,1,11-14H2,2-9H3/t19-,20+,21-/m1/s1.
What are the key properties of (2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine?
(2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine has a molecular weight of 414.74 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,10aS)-6,6,8,8-tetra(propan-2-yl)-2-prop-2-enyl-2,3,3a,4,10,10a-hexahydrofuro[2,3-g][1,3,5,2,4]trioxadisilonine is sourced from PubChem (CID 71762900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).