(3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one

C39H60O12Si — CID 11072686

About (3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one

(3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one (PubChem CID 11072686) has the molecular formula C39H60O12Si and a molecular weight of 748.98 g/mol. Its IUPAC name is (3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one.

Molecular Properties

• Compound Name: (3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one
• PubChem CID: 11072686
• Molecular Formula: C39H60O12Si
• Molecular Weight: 748.98 g/mol
• Exact Mass: 748.39
• IUPAC Name: (3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one
• SMILES: C[Si](C)(C)O[C@]1([C@]23OC4(CCCCC4)O[C@H]2[C@@H]([C@H]2COC4(CCCCC4)O2)OC3=O)O[C@H]([C@H]2COC3(CCCCC3)O2)[C@@H]2OC3(CCCCC3)O[C@@H]21
• InChI: InChI=1S/C39H60O12Si/c1-52(2,3)51-39(32-30(46-36(49-32)20-12-6-13-21-36)28(47-39)26-24-41-34(44-26)16-8-4-9-17-34)38-31(48-37(50-38)22-14-7-15-23-37)29(43-33(38)40)27-25-42-35(45-27)18-10-5-11-19-35/h26-32H,4-25H2,1-3H3/t26-,27-,28-,29-,30+,31+,32+,38+,39-/m1/s1
• InChIKey: GTNXJJIPLRDTDP-NKCOTIQISA-N
• XLogP: 6.27
• TPSA: 118.60 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	748.98
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one?

The IUPAC name of (3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one (CID 11072686) is (3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one.

What is the SMILES notation for (3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one?

The canonical SMILES for (3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one is C[Si](C)(C)O[C@]1([C@]23OC4(CCCCC4)O[C@H]2[C@@H]([C@H]2COC4(CCCCC4)O2)OC3=O)O[C@H]([C@H]2COC3(CCCCC3)O2)[C@@H]2OC3(CCCCC3)O[C@@H]21.

What is the InChIKey of (3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one?

The InChIKey is GTNXJJIPLRDTDP-NKCOTIQISA-N. The full InChI is InChI=1S/C39H60O12Si/c1-52(2,3)51-39(32-30(46-36(49-32)20-12-6-13-21-36)28(47-39)26-24-41-34(44-26)16-8-4-9-17-34)38-31(48-37(50-38)22-14-7-15-23-37)29(43-33(38)40)27-25-42-35(45-27)18-10-5-11-19-35/h26-32H,4-25H2,1-3H3/t26-,27-,28-,29-,30+,31+,32+,38+,39-/m1/s1.

What are the key properties of (3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one?

(3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one has a molecular weight of 748.98 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3aR,6R,6aS)-3a-[(3aS,4R,6R,6aS)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-4-trimethylsilyloxyspiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-yl]-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one is sourced from PubChem (CID 11072686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).