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

C20H42O5Si2 — CID 134838421

IUPAC3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](CCCO)C[C@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C20H42O5Si2/c1-14(2)26(15(3)4)22-13-20-19(12-18(23-20)10-9-11-21)24-27(25-26,16(5)6)17(7)8/h14-21H,9-13H2,1-8H3/t18-,19+,20+/m0/s1
InChIKeyCKVQYKQPBPNZBC-XUVXKRRUSA-N
MW418.72 g/mol
LogP4.87
Rot. Bonds7

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

3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol (PubChem CID 134838421) has the molecular formula C20H42O5Si2 and a molecular weight of 418.72 g/mol. Its IUPAC name is 3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol
PubChem CID134838421
Molecular FormulaC20H42O5Si2
Molecular Weight418.72 g/mol
Exact Mass418.26
IUPAC Name3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](CCCO)C[C@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C20H42O5Si2/c1-14(2)26(15(3)4)22-13-20-19(12-18(23-20)10-9-11-21)24-27(25-26,16(5)6)17(7)8/h14-21H,9-13H2,1-8H3/t18-,19+,20+/m0/s1
InChIKeyCKVQYKQPBPNZBC-XUVXKRRUSA-N
XLogP4.87
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.72
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol?
The IUPAC name of 3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol (CID 134838421) is 3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol.
What is the SMILES notation for 3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol?
The canonical SMILES for 3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](CCCO)C[C@H]2O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of 3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol?
The InChIKey is CKVQYKQPBPNZBC-XUVXKRRUSA-N. The full InChI is InChI=1S/C20H42O5Si2/c1-14(2)26(15(3)4)22-13-20-19(12-18(23-20)10-9-11-21)24-27(25-26,16(5)6)17(7)8/h14-21H,9-13H2,1-8H3/t18-,19+,20+/m0/s1.
What are the key properties of 3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol?
3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol has a molecular weight of 418.72 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6aR,8S,9aR)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]propan-1-ol is sourced from PubChem (CID 134838421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).