(6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione

C24H42N2O7Si2 — CID 15334182

IUPAC(6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2O[C@@]3(C[C@@H]2O[Si](C(C)C)(C(C)C)O1)OC(C)(C)c1cc(=O)[nH]c(=O)n13
InChIInChI=1S/C24H42N2O7Si2/c1-14(2)34(15(3)4)29-13-19-18(31-35(33-34,16(5)6)17(7)8)12-24(30-19)26-20(23(9,10)32-24)11-21(27)25-22(26)28/h11,14-19H,12-13H2,1-10H3,(H,25,27,28)/t18-,19+,24-/m0/s1
InChIKeyGVVQLKSHCOYVCL-GLDPYIMESA-N
MW526.78 g/mol
LogP4.16
Rot. Bonds4

About (6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione

(6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione (PubChem CID 15334182) has the molecular formula C24H42N2O7Si2 and a molecular weight of 526.78 g/mol. Its IUPAC name is (6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione.

Molecular Properties

Compound Name(6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione
PubChem CID15334182
Molecular FormulaC24H42N2O7Si2
Molecular Weight526.78 g/mol
Exact Mass526.25
IUPAC Name(6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2O[C@@]3(C[C@@H]2O[Si](C(C)C)(C(C)C)O1)OC(C)(C)c1cc(=O)[nH]c(=O)n13
InChIInChI=1S/C24H42N2O7Si2/c1-14(2)34(15(3)4)29-13-19-18(31-35(33-34,16(5)6)17(7)8)12-24(30-19)26-20(23(9,10)32-24)11-21(27)25-22(26)28/h11,14-19H,12-13H2,1-10H3,(H,25,27,28)/t18-,19+,24-/m0/s1
InChIKeyGVVQLKSHCOYVCL-GLDPYIMESA-N
XLogP4.16
TPSA101.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.78
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-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 (6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione?
The IUPAC name of (6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione (CID 15334182) is (6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione.
What is the SMILES notation for (6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione?
The canonical SMILES for (6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione is CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@]3(C[C@@H]2O[Si](C(C)C)(C(C)C)O1)OC(C)(C)c1cc(=O)[nH]c(=O)n13.
What is the InChIKey of (6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione?
The InChIKey is GVVQLKSHCOYVCL-GLDPYIMESA-N. The full InChI is InChI=1S/C24H42N2O7Si2/c1-14(2)34(15(3)4)29-13-19-18(31-35(33-34,16(5)6)17(7)8)12-24(30-19)26-20(23(9,10)32-24)11-21(27)25-22(26)28/h11,14-19H,12-13H2,1-10H3,(H,25,27,28)/t18-,19+,24-/m0/s1.
What are the key properties of (6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione?
(6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione has a molecular weight of 526.78 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,8S,9aS)-1',1'-dimethyl-2,2,4,4-tetra(propan-2-yl)spiro[6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocine-8,3'-[1,3]oxazolo[3,4-c]pyrimidine]-5',7'-dione is sourced from PubChem (CID 15334182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).