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

C23H48O6Si2 — CID 10814460

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

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

(6aR,8S,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol (PubChem CID 10814460) has the molecular formula C23H48O6Si2 and a molecular weight of 476.80 g/mol. Its IUPAC name is (6aR,8S,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol.

Molecular Properties

Compound Name(6aR,8S,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol
PubChem CID10814460
Molecular FormulaC23H48O6Si2
Molecular Weight476.80 g/mol
Exact Mass476.30
IUPAC Name(6aR,8S,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol
SMILESCCOC(C)OC[C@@H]1C[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/C23H48O6Si2/c1-11-25-19(10)26-13-20-12-21-14-27-30(15(2)3,16(4)5)29-31(17(6)7,18(8)9)28-23(21)22(20)24/h15-24H,11-14H2,1-10H3/t19?,20-,21+,22-,23+/m0/s1
InChIKeyMTDWHLMNDIWDRQ-ARHMPVJQSA-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,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,8S,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol?
The IUPAC name of (6aR,8S,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol (CID 10814460) is (6aR,8S,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol.
What is the SMILES notation for (6aR,8S,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol?
The canonical SMILES for (6aR,8S,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol is CCOC(C)OC[C@@H]1C[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,8S,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol?
The InChIKey is MTDWHLMNDIWDRQ-ARHMPVJQSA-N. The full InChI is InChI=1S/C23H48O6Si2/c1-11-25-19(10)26-13-20-12-21-14-27-30(15(2)3,16(4)5)29-31(17(6)7,18(8)9)28-23(21)22(20)24/h15-24H,11-14H2,1-10H3/t19?,20-,21+,22-,23+/m0/s1.
What are the key properties of (6aR,8S,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol?
(6aR,8S,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol 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,9S,9aR)-8-(1-ethoxyethoxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,7,8,9,9a-hexahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol is sourced from PubChem (CID 10814460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).