(6aR,8S,9S,9aS)-8-methoxy-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

C18H38O6Si2 — CID 11395656

IUPAC(6aR,8S,9S,9aS)-8-methoxy-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
SMILESCO[C@H]1O[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/C18H38O6Si2/c1-11(2)25(12(3)4)21-10-15-17(16(19)18(20-9)22-15)23-26(24-25,13(5)6)14(7)8/h11-19H,10H2,1-9H3/t15-,16+,17-,18+/m1/s1
InChIKeyWSCLYCQPYILECV-XDNAFOTISA-N
MW406.67 g/mol
LogP3.67
Rot. Bonds5

About (6aR,8S,9S,9aS)-8-methoxy-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,9S,9aS)-8-methoxy-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 11395656) has the molecular formula C18H38O6Si2 and a molecular weight of 406.67 g/mol. Its IUPAC name is (6aR,8S,9S,9aS)-8-methoxy-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,9S,9aS)-8-methoxy-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 CID11395656
Molecular FormulaC18H38O6Si2
Molecular Weight406.67 g/mol
Exact Mass406.22
IUPAC Name(6aR,8S,9S,9aS)-8-methoxy-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
SMILESCO[C@H]1O[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/C18H38O6Si2/c1-11(2)25(12(3)4)21-10-15-17(16(19)18(20-9)22-15)23-26(24-25,13(5)6)14(7)8/h11-19H,10H2,1-9H3/t15-,16+,17-,18+/m1/s1
InChIKeyWSCLYCQPYILECV-XDNAFOTISA-N
XLogP3.67
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.67
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6aR,8S,9S,9aS)-8-methoxy-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR,8S,9S,9aS)-8-methoxy-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,9S,9aS)-8-methoxy-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 11395656) is (6aR,8S,9S,9aS)-8-methoxy-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,9S,9aS)-8-methoxy-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,9S,9aS)-8-methoxy-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 CO[C@H]1O[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,9aS)-8-methoxy-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 WSCLYCQPYILECV-XDNAFOTISA-N. The full InChI is InChI=1S/C18H38O6Si2/c1-11(2)25(12(3)4)21-10-15-17(16(19)18(20-9)22-15)23-26(24-25,13(5)6)14(7)8/h11-19H,10H2,1-9H3/t15-,16+,17-,18+/m1/s1.
What are the key properties of (6aR,8S,9S,9aS)-8-methoxy-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,9S,9aS)-8-methoxy-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 406.67 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,8S,9S,9aS)-8-methoxy-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 11395656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).