[(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane

C24H32O5Si — CID 173074856

IUPAC[(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane
SMILESCC(C)(C)OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O5Si/c1-23(2,3)25-16-19-20(21-22(26-19)28-24(4,5)27-21)29-30(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19-22,30H,16H2,1-5H3/t19-,20+,21-,22-/m1/s1
InChIKeyGNAWDCREIQMREL-CIAFKFPVSA-N
MW428.60 g/mol
LogP2.60
Rot. Bonds6

About [(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane

[(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane (PubChem CID 173074856) has the molecular formula C24H32O5Si and a molecular weight of 428.60 g/mol. Its IUPAC name is [(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane.

Molecular Properties

Compound Name[(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane
PubChem CID173074856
Molecular FormulaC24H32O5Si
Molecular Weight428.60 g/mol
Exact Mass428.20
IUPAC Name[(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane
SMILESCC(C)(C)OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O5Si/c1-23(2,3)25-16-19-20(21-22(26-19)28-24(4,5)27-21)29-30(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19-22,30H,16H2,1-5H3/t19-,20+,21-,22-/m1/s1
InChIKeyGNAWDCREIQMREL-CIAFKFPVSA-N
XLogP2.60
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane?
The IUPAC name of [(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane (CID 173074856) is [(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane.
What is the SMILES notation for [(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane?
The canonical SMILES for [(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane is CC(C)(C)OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of [(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane?
The InChIKey is GNAWDCREIQMREL-CIAFKFPVSA-N. The full InChI is InChI=1S/C24H32O5Si/c1-23(2,3)25-16-19-20(21-22(26-19)28-24(4,5)27-21)29-30(17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19-22,30H,16H2,1-5H3/t19-,20+,21-,22-/m1/s1.
What are the key properties of [(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane?
[(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane has a molecular weight of 428.60 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,5R,6S,6aR)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy-diphenylsilane is sourced from PubChem (CID 173074856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).