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

C18H36O4Si2 — CID 131735542

IUPAC(6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2C=C[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C18H36O4Si2/c1-12(2)23(13(3)4)20-11-16-9-10-17(19)18(16)21-24(22-23,14(5)6)15(7)8/h9-10,12-19H,11H2,1-8H3/t16-,17+,18-/m1/s1
InChIKeyFWRMSKWILPVPOI-FGTMMUONSA-N
MW372.65 g/mol
LogP4.49
Rot. Bonds4

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

(6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol (PubChem CID 131735542) has the molecular formula C18H36O4Si2 and a molecular weight of 372.65 g/mol. Its IUPAC name is (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol.

Molecular Properties

Compound Name(6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol
PubChem CID131735542
Molecular FormulaC18H36O4Si2
Molecular Weight372.65 g/mol
Exact Mass372.22
IUPAC Name(6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2C=C[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C18H36O4Si2/c1-12(2)23(13(3)4)20-11-16-9-10-17(19)18(16)21-24(22-23,14(5)6)15(7)8/h9-10,12-19H,11H2,1-8H3/t16-,17+,18-/m1/s1
InChIKeyFWRMSKWILPVPOI-FGTMMUONSA-N
XLogP4.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 54.49
H-Bond Donors ≤ 51
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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Related Compounds

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(4R,5S,2E)-5,7-bis(tert-Butyldimethylsilyloxy)-4-methylhept-2-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol?
The IUPAC name of (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol (CID 131735542) is (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol.
What is the SMILES notation for (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol?
The canonical SMILES for (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol is CC(C)[Si]1(C(C)C)OC[C@H]2C=C[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol?
The InChIKey is FWRMSKWILPVPOI-FGTMMUONSA-N. The full InChI is InChI=1S/C18H36O4Si2/c1-12(2)23(13(3)4)20-11-16-9-10-17(19)18(16)21-24(22-23,14(5)6)15(7)8/h9-10,12-19H,11H2,1-8H3/t16-,17+,18-/m1/s1.
What are the key properties of (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol?
(6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol has a molecular weight of 372.65 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9S,9aR)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrocyclopenta[f][1,3,5,2,4]trioxadisilocin-9-ol is sourced from PubChem (CID 131735542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).