(6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one

C17H34O5Si2 — CID 10926866

IUPAC(6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2OC(=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C17H34O5Si2/c1-11(2)23(12(3)4)19-10-16-15(9-17(18)20-16)21-24(22-23,13(5)6)14(7)8/h11-16H,9-10H2,1-8H3/t15-,16+/m0/s1
InChIKeyVKUSERFNLBNDGI-JKSUJKDBSA-N
MW374.63 g/mol
LogP4.26
Rot. Bonds4

About (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one

(6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one (PubChem CID 10926866) has the molecular formula C17H34O5Si2 and a molecular weight of 374.63 g/mol. Its IUPAC name is (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one.

Molecular Properties

Compound Name(6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one
PubChem CID10926866
Molecular FormulaC17H34O5Si2
Molecular Weight374.63 g/mol
Exact Mass374.19
IUPAC Name(6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one
SMILESCC(C)[Si]1(C(C)C)OC[C@H]2OC(=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C17H34O5Si2/c1-11(2)23(12(3)4)19-10-16-15(9-17(18)20-16)21-24(22-23,13(5)6)14(7)8/h11-16H,9-10H2,1-8H3/t15-,16+/m0/s1
InChIKeyVKUSERFNLBNDGI-JKSUJKDBSA-N
XLogP4.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.63
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one with MolForge

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Related Compounds

4-Trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 523334
4-[Tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 13477303
(6aR,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one
CID 54177901
(3S,4R,5R)-3,4-bis(trimethylsilyloxy)-5-(trimethylsilyloxymethyl)oxolan-2-one
CID 91177422
(4R,5R)-4-((tert-Butyldimethylsilyl)oxy)-5-(((tert-butyldimethylsilyl)oxy)methyl)dihydrofuran-2(3H)-one
CID 134973989
(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 10763314
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 11047574
(3S,4R,5R)-3-fluoro-4-((triisopropylsilyl)oxy)-5-(((triisopropylsilyl)oxy)methyl)-dihydrofuran-2(3H)-one
CID 44240200
(3S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-one
CID 44240461
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 57857439
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluorooxolan-2-one
CID 58946409
(4R,5R)-3-fluoro-4-tri(propan-2-yl)silyloxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
CID 140897889

Frequently Asked Questions

What is the IUPAC name of (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one?
The IUPAC name of (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one (CID 10926866) is (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one.
What is the SMILES notation for (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one?
The canonical SMILES for (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one is CC(C)[Si]1(C(C)C)OC[C@H]2OC(=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one?
The InChIKey is VKUSERFNLBNDGI-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H34O5Si2/c1-11(2)23(12(3)4)19-10-16-15(9-17(18)20-16)21-24(22-23,13(5)6)14(7)8/h11-16H,9-10H2,1-8H3/t15-,16+/m0/s1.
What are the key properties of (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one?
(6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one has a molecular weight of 374.63 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9aS)-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-one is sourced from PubChem (CID 10926866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).