(6aR,8S)-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]trioxadisilocine

C18H38O4Si2 — CID 134972325

IUPAC(6aR,8S)-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]trioxadisilocine
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](C)CC2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C18H38O4Si2/c1-12(2)23(13(3)4)19-11-18-17(10-16(9)20-18)21-24(22-23,14(5)6)15(7)8/h12-18H,10-11H2,1-9H3/t16-,17?,18+/m0/s1
InChIKeyFSKJEQOULHKOPR-PXKIYYGHSA-N
MW374.67 g/mol
LogP5.12
Rot. Bonds4

About (6aR,8S)-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]trioxadisilocine

(6aR,8S)-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]trioxadisilocine (PubChem CID 134972325) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is (6aR,8S)-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]trioxadisilocine.

Molecular Properties

Compound Name(6aR,8S)-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]trioxadisilocine
PubChem CID134972325
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Name(6aR,8S)-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]trioxadisilocine
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](C)CC2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C18H38O4Si2/c1-12(2)23(13(3)4)19-11-18-17(10-16(9)20-18)21-24(22-23,14(5)6)15(7)8/h12-18H,10-11H2,1-9H3/t16-,17?,18+/m0/s1
InChIKeyFSKJEQOULHKOPR-PXKIYYGHSA-N
XLogP5.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-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]trioxadisilocine?
The IUPAC name of (6aR,8S)-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]trioxadisilocine (CID 134972325) is (6aR,8S)-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]trioxadisilocine.
What is the SMILES notation for (6aR,8S)-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]trioxadisilocine?
The canonical SMILES for (6aR,8S)-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]trioxadisilocine is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](C)CC2O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of (6aR,8S)-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]trioxadisilocine?
The InChIKey is FSKJEQOULHKOPR-PXKIYYGHSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-12(2)23(13(3)4)19-11-18-17(10-16(9)20-18)21-24(22-23,14(5)6)15(7)8/h12-18H,10-11H2,1-9H3/t16-,17?,18+/m0/s1.
What are the key properties of (6aR,8S)-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]trioxadisilocine?
(6aR,8S)-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]trioxadisilocine has a molecular weight of 374.67 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,8S)-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]trioxadisilocine is sourced from PubChem (CID 134972325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).