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

C17H36O6Si2 — CID 101274072

IUPAC(6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2OC(O)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C17H36O6Si2/c1-10(2)24(11(3)4)20-9-14-16(15(18)17(19)21-14)22-25(23-24,12(5)6)13(7)8/h10-19H,9H2,1-8H3/t14-,15+,16-,17?/m1/s1
InChIKeyOTBJUQSUURVDRL-LVYZTWJOSA-N
MW392.64 g/mol
LogP3.02
Rot. Bonds4

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

(6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol (PubChem CID 101274072) has the molecular formula C17H36O6Si2 and a molecular weight of 392.64 g/mol. Its IUPAC name is (6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol.

Molecular Properties

Compound Name(6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol
PubChem CID101274072
Molecular FormulaC17H36O6Si2
Molecular Weight392.64 g/mol
Exact Mass392.21
IUPAC Name(6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2OC(O)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C17H36O6Si2/c1-10(2)24(11(3)4)20-9-14-16(15(18)17(19)21-14)22-25(23-24,12(5)6)13(7)8/h10-19H,9H2,1-8H3/t14-,15+,16-,17?/m1/s1
InChIKeyOTBJUQSUURVDRL-LVYZTWJOSA-N
XLogP3.02
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.64
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol?
The IUPAC name of (6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol (CID 101274072) is (6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol.
What is the SMILES notation for (6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol?
The canonical SMILES for (6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol is CC(C)[Si]1(C(C)C)OC[C@H]2OC(O)[C@@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of (6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol?
The InChIKey is OTBJUQSUURVDRL-LVYZTWJOSA-N. The full InChI is InChI=1S/C17H36O6Si2/c1-10(2)24(11(3)4)20-9-14-16(15(18)17(19)21-14)22-25(23-24,12(5)6)13(7)8/h10-19H,9H2,1-8H3/t14-,15+,16-,17?/m1/s1.
What are the key properties of (6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol?
(6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol has a molecular weight of 392.64 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9S,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocine-8,9-diol is sourced from PubChem (CID 101274072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).