(2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde

C25H32O5Si — CID 11154913

IUPAC(2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde
SMILESCO[C@H]1C[C@H]2[C@@H](O1)O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]2C=O
InChIInChI=1S/C25H32O5Si/c1-25(2,3)31(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-17-22-21(16-26)20-15-23(27-4)30-24(20)29-22/h5-14,16,20-24H,15,17H2,1-4H3/t20-,21+,22-,23-,24-/m1/s1
InChIKeyRELUMLJTOTXIOL-KEJFTWOCSA-N
MW440.61 g/mol
LogP3.11
Rot. Bonds7

About (2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde

(2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde (PubChem CID 11154913) has the molecular formula C25H32O5Si and a molecular weight of 440.61 g/mol. Its IUPAC name is (2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde.

Molecular Properties

Compound Name(2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde
PubChem CID11154913
Molecular FormulaC25H32O5Si
Molecular Weight440.61 g/mol
Exact Mass440.20
IUPAC Name(2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde
SMILESCO[C@H]1C[C@H]2[C@@H](O1)O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]2C=O
InChIInChI=1S/C25H32O5Si/c1-25(2,3)31(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-17-22-21(16-26)20-15-23(27-4)30-24(20)29-22/h5-14,16,20-24H,15,17H2,1-4H3/t20-,21+,22-,23-,24-/m1/s1
InChIKeyRELUMLJTOTXIOL-KEJFTWOCSA-N
XLogP3.11
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde?
The IUPAC name of (2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde (CID 11154913) is (2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde.
What is the SMILES notation for (2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde?
The canonical SMILES for (2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde is CO[C@H]1C[C@H]2[C@@H](O1)O[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]2C=O.
What is the InChIKey of (2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde?
The InChIKey is RELUMLJTOTXIOL-KEJFTWOCSA-N. The full InChI is InChI=1S/C25H32O5Si/c1-25(2,3)31(18-11-7-5-8-12-18,19-13-9-6-10-14-19)28-17-22-21(16-26)20-15-23(27-4)30-24(20)29-22/h5-14,16,20-24H,15,17H2,1-4H3/t20-,21+,22-,23-,24-/m1/s1.
What are the key properties of (2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde?
(2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde has a molecular weight of 440.61 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,4S,5S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-carbaldehyde is sourced from PubChem (CID 11154913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).