(2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol

C24H50O7Si2 — CID 10962240

IUPAC(2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol
SMILESCO[C@]1(C[C@H](O)CO)O[C@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]2[C@@H](C)[C@@H]1C
InChIInChI=1S/C24H50O7Si2/c1-15(2)32(16(3)4)28-14-22-23(30-33(31-32,17(5)6)18(7)8)19(9)20(10)24(27-11,29-22)12-21(26)13-25/h15-23,25-26H,12-14H2,1-11H3/t19-,20-,21-,22-,23+,24+/m0/s1
InChIKeyNVKFGORGFYBCPG-RXOWOHSCSA-N
MW506.83 g/mol
LogP4.70
Rot. Bonds8

About (2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol

(2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol (PubChem CID 10962240) has the molecular formula C24H50O7Si2 and a molecular weight of 506.83 g/mol. Its IUPAC name is (2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol
PubChem CID10962240
Molecular FormulaC24H50O7Si2
Molecular Weight506.83 g/mol
Exact Mass506.31
IUPAC Name(2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol
SMILESCO[C@]1(C[C@H](O)CO)O[C@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]2[C@@H](C)[C@@H]1C
InChIInChI=1S/C24H50O7Si2/c1-15(2)32(16(3)4)28-14-22-23(30-33(31-32,17(5)6)18(7)8)19(9)20(10)24(27-11,29-22)12-21(26)13-25/h15-23,25-26H,12-14H2,1-11H3/t19-,20-,21-,22-,23+,24+/m0/s1
InChIKeyNVKFGORGFYBCPG-RXOWOHSCSA-N
XLogP4.70
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.83
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol?
The IUPAC name of (2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol (CID 10962240) is (2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol is CO[C@]1(C[C@H](O)CO)O[C@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]2[C@@H](C)[C@@H]1C.
What is the InChIKey of (2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol?
The InChIKey is NVKFGORGFYBCPG-RXOWOHSCSA-N. The full InChI is InChI=1S/C24H50O7Si2/c1-15(2)32(16(3)4)28-14-22-23(30-33(31-32,17(5)6)18(7)8)19(9)20(10)24(27-11,29-22)12-21(26)13-25/h15-23,25-26H,12-14H2,1-11H3/t19-,20-,21-,22-,23+,24+/m0/s1.
What are the key properties of (2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol?
(2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol has a molecular weight of 506.83 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(6aS,8R,9S,10S,10aR)-8-methoxy-9,10-dimethyl-2,2,4,4-tetra(propan-2-yl)-6a,9,10,10a-tetrahydro-6H-pyrano[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propane-1,2-diol is sourced from PubChem (CID 10962240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).