[1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane

C28H38O6Si — CID 71040617

IUPAC[1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)O[C@@H]2[C@H]1COC(C)(C)O1
InChIInChI=1S/C28H38O6Si/c1-26(2,35(29,19-13-9-7-10-14-19)20-15-11-8-12-16-20)17-21-24-25(34-28(5,6)33-24)23(31-21)22-18-30-27(3,4)32-22/h7-16,21-25,29H,17-18H2,1-6H3/t21-,22-,23-,24-,25+/m1/s1
InChIKeyQCIGPXQANGUPBW-JYSSUKAJSA-N
MW498.69 g/mol
LogP3.35
Rot. Bonds6

About [1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane

[1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane (PubChem CID 71040617) has the molecular formula C28H38O6Si and a molecular weight of 498.69 g/mol. Its IUPAC name is [1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane.

Molecular Properties

Compound Name[1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane
PubChem CID71040617
Molecular FormulaC28H38O6Si
Molecular Weight498.69 g/mol
Exact Mass498.24
IUPAC Name[1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)O[C@@H]2[C@H]1COC(C)(C)O1
InChIInChI=1S/C28H38O6Si/c1-26(2,35(29,19-13-9-7-10-14-19)20-15-11-8-12-16-20)17-21-24-25(34-28(5,6)33-24)23(31-21)22-18-30-27(3,4)32-22/h7-16,21-25,29H,17-18H2,1-6H3/t21-,22-,23-,24-,25+/m1/s1
InChIKeyQCIGPXQANGUPBW-JYSSUKAJSA-N
XLogP3.35
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane?
The IUPAC name of [1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane (CID 71040617) is [1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane.
What is the SMILES notation for [1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane?
The canonical SMILES for [1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane is CC1(C)O[C@@H]2[C@H](O1)[C@@H](CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)O[C@@H]2[C@H]1COC(C)(C)O1.
What is the InChIKey of [1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane?
The InChIKey is QCIGPXQANGUPBW-JYSSUKAJSA-N. The full InChI is InChI=1S/C28H38O6Si/c1-26(2,35(29,19-13-9-7-10-14-19)20-15-11-8-12-16-20)17-21-24-25(34-28(5,6)33-24)23(31-21)22-18-30-27(3,4)32-22/h7-16,21-25,29H,17-18H2,1-6H3/t21-,22-,23-,24-,25+/m1/s1.
What are the key properties of [1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane?
[1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane has a molecular weight of 498.69 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylpropan-2-yl]-hydroxy-diphenylsilane is sourced from PubChem (CID 71040617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).