5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde

C32H38O6Si — CID 87369523

IUPAC5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
SMILESCC1(C)OC2OC(C=O)(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(OCc3ccccc3)C2O1
InChIInChI=1S/C32H38O6Si/c1-30(2,3)39(25-17-11-7-12-18-25,26-19-13-8-14-20-26)35-23-32(22-33)28(34-21-24-15-9-6-10-16-24)27-29(38-32)37-31(4,5)36-27/h6-20,22,27-29H,21,23H2,1-5H3
InChIKeyIWNVDBLDFCVOSN-UHFFFAOYSA-N
MW546.74 g/mol
LogP4.59
Rot. Bonds9

About 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde

5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde (PubChem CID 87369523) has the molecular formula C32H38O6Si and a molecular weight of 546.74 g/mol. Its IUPAC name is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde.

Molecular Properties

Compound Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
PubChem CID87369523
Molecular FormulaC32H38O6Si
Molecular Weight546.74 g/mol
Exact Mass546.24
IUPAC Name5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
SMILESCC1(C)OC2OC(C=O)(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(OCc3ccccc3)C2O1
InChIInChI=1S/C32H38O6Si/c1-30(2,3)39(25-17-11-7-12-18-25,26-19-13-8-14-20-26)35-23-32(22-33)28(34-21-24-15-9-6-10-16-24)27-29(38-32)37-31(4,5)36-27/h6-20,22,27-29H,21,23H2,1-5H3
InChIKeyIWNVDBLDFCVOSN-UHFFFAOYSA-N
XLogP4.59
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.74
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?
The IUPAC name of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde (CID 87369523) is 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde.
What is the SMILES notation for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?
The canonical SMILES for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde is CC1(C)OC2OC(C=O)(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(OCc3ccccc3)C2O1.
What is the InChIKey of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?
The InChIKey is IWNVDBLDFCVOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O6Si/c1-30(2,3)39(25-17-11-7-12-18-25,26-19-13-8-14-20-26)35-23-32(22-33)28(34-21-24-15-9-6-10-16-24)27-29(38-32)37-31(4,5)36-27/h6-20,22,27-29H,21,23H2,1-5H3.
What are the key properties of 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde?
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde has a molecular weight of 546.74 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde is sourced from PubChem (CID 87369523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).