[(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol

C23H48O6Si2 — CID 10624440

IUPAC[(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol
SMILESCCOC(C)O[C@@H]1[C@H](CO)C[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]21
InChIInChI=1S/C23H48O6Si2/c1-11-25-19(10)27-22-20(13-24)12-21-14-26-30(15(2)3,16(4)5)29-31(17(6)7,18(8)9)28-23(21)22/h15-24H,11-14H2,1-10H3/t19?,20-,21+,22+,23+/m0/s1
InChIKeyAVNRKMHZRYLEKH-LVOFXVDLSA-N
MW476.80 g/mol
LogP5.34
Rot. Bonds9

About [(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol

[(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol (PubChem CID 10624440) has the molecular formula C23H48O6Si2 and a molecular weight of 476.80 g/mol. Its IUPAC name is [(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol.

Molecular Properties

Compound Name[(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol
PubChem CID10624440
Molecular FormulaC23H48O6Si2
Molecular Weight476.80 g/mol
Exact Mass476.30
IUPAC Name[(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol
SMILESCCOC(C)O[C@@H]1[C@H](CO)C[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]21
InChIInChI=1S/C23H48O6Si2/c1-11-25-19(10)27-22-20(13-24)12-21-14-26-30(15(2)3,16(4)5)29-31(17(6)7,18(8)9)28-23(21)22/h15-24H,11-14H2,1-10H3/t19?,20-,21+,22+,23+/m0/s1
InChIKeyAVNRKMHZRYLEKH-LVOFXVDLSA-N
XLogP5.34
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.80
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol?
The IUPAC name of [(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol (CID 10624440) is [(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol.
What is the SMILES notation for [(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol?
The canonical SMILES for [(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol is CCOC(C)O[C@@H]1[C@H](CO)C[C@@H]2CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]21.
What is the InChIKey of [(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol?
The InChIKey is AVNRKMHZRYLEKH-LVOFXVDLSA-N. The full InChI is InChI=1S/C23H48O6Si2/c1-11-25-19(10)27-22-20(13-24)12-21-14-26-30(15(2)3,16(4)5)29-31(17(6)7,18(8)9)28-23(21)22/h15-24H,11-14H2,1-10H3/t19?,20-,21+,22+,23+/m0/s1.
What are the key properties of [(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol?
[(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol has a molecular weight of 476.80 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aR,8S,9R,9aR)-9-(1-ethoxyethoxy)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-8-yl]methanol is sourced from PubChem (CID 10624440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).