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

C18H38O5Si2 — CID 90814372

IUPAC(6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](C)C(O)[C@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C18H38O5Si2/c1-11(2)24(12(3)4)20-10-16-18(17(19)15(9)21-16)22-25(23-24,13(5)6)14(7)8/h11-19H,10H2,1-9H3/t15-,16+,17?,18-/m0/s1
InChIKeyHRYRSFVPZFEOIE-WFFDWFOESA-N
MW390.67 g/mol
LogP4.09
Rot. Bonds4

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

(6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol (PubChem CID 90814372) has the molecular formula C18H38O5Si2 and a molecular weight of 390.67 g/mol. Its IUPAC name is (6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol.

Molecular Properties

Compound Name(6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
PubChem CID90814372
Molecular FormulaC18H38O5Si2
Molecular Weight390.67 g/mol
Exact Mass390.23
IUPAC Name(6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](C)C(O)[C@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C18H38O5Si2/c1-11(2)24(12(3)4)20-10-16-18(17(19)15(9)21-16)22-25(23-24,13(5)6)14(7)8/h11-19H,10H2,1-9H3/t15-,16+,17?,18-/m0/s1
InChIKeyHRYRSFVPZFEOIE-WFFDWFOESA-N
XLogP4.09
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol?
The IUPAC name of (6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol (CID 90814372) is (6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol.
What is the SMILES notation for (6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol?
The canonical SMILES for (6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](C)C(O)[C@H]2O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of (6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol?
The InChIKey is HRYRSFVPZFEOIE-WFFDWFOESA-N. The full InChI is InChI=1S/C18H38O5Si2/c1-11(2)24(12(3)4)20-10-16-18(17(19)15(9)21-16)22-25(23-24,13(5)6)14(7)8/h11-19H,10H2,1-9H3/t15-,16+,17?,18-/m0/s1.
What are the key properties of (6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol?
(6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol has a molecular weight of 390.67 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,8S,9aR)-8-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol is sourced from PubChem (CID 90814372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).