(6aR,9aS)-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 59973077

IUPAC(6aR,9aS)-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
SMILESCC1C[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O1
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-UQJFVLDMSA-N
MW374.67 g/mol
LogP5.12
Rot. Bonds4

About (6aR,9aS)-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,9aS)-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 59973077) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is (6aR,9aS)-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,9aS)-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 CID59973077
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Name(6aR,9aS)-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
SMILESCC1C[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O1
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-UQJFVLDMSA-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'}

Analyze (6aR,9aS)-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR,9aS)-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,9aS)-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 59973077) is (6aR,9aS)-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,9aS)-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,9aS)-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 CC1C[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O1.
What is the InChIKey of (6aR,9aS)-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-UQJFVLDMSA-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,9aS)-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,9aS)-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,9aS)-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 59973077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).