1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione

C22H40N2O7Si2 — CID 15334168

IUPAC1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3c(CO)cc(=O)[nH]c3=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C22H40N2O7Si2/c1-13(2)32(14(3)4)28-12-19-18(30-33(31-32,15(5)6)16(7)8)10-21(29-19)24-17(11-25)9-20(26)23-22(24)27/h9,13-16,18-19,21,25H,10-12H2,1-8H3,(H,23,26,27)/t18-,19+,21+/m0/s1
InChIKeyRULVKRODKHEOAC-QKNQBKEWSA-N
MW500.74 g/mol
LogP3.27
Rot. Bonds6

About 1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione

1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione (PubChem CID 15334168) has the molecular formula C22H40N2O7Si2 and a molecular weight of 500.74 g/mol. Its IUPAC name is 1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione
PubChem CID15334168
Molecular FormulaC22H40N2O7Si2
Molecular Weight500.74 g/mol
Exact Mass500.24
IUPAC Name1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3c(CO)cc(=O)[nH]c3=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C22H40N2O7Si2/c1-13(2)32(14(3)4)28-12-19-18(30-33(31-32,15(5)6)16(7)8)10-21(29-19)24-17(11-25)9-20(26)23-22(24)27/h9,13-16,18-19,21,25H,10-12H2,1-8H3,(H,23,26,27)/t18-,19+,21+/m0/s1
InChIKeyRULVKRODKHEOAC-QKNQBKEWSA-N
XLogP3.27
TPSA112.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.74
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione 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 1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione (CID 15334168) is 1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3c(CO)cc(=O)[nH]c3=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of 1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione?
The InChIKey is RULVKRODKHEOAC-QKNQBKEWSA-N. The full InChI is InChI=1S/C22H40N2O7Si2/c1-13(2)32(14(3)4)28-12-19-18(30-33(31-32,15(5)6)16(7)8)10-21(29-19)24-17(11-25)9-20(26)23-22(24)27/h9,13-16,18-19,21,25H,10-12H2,1-8H3,(H,23,26,27)/t18-,19+,21+/m0/s1.
What are the key properties of 1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione?
1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione has a molecular weight of 500.74 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6aR,8R,9aS)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(hydroxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 15334168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).