(3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde

C14H24O4Si — CID 14216164

IUPAC(3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1C=O
InChIInChI=1S/C14H24O4Si/c1-4-19(5-2,6-3)18-13-8-12-10(11(13)9-15)7-14(16)17-12/h9-13H,4-8H2,1-3H3/t10-,11-,12+,13-/m1/s1
InChIKeyREQGGRBXTCRVDB-FVCCEPFGSA-N
MW284.43 g/mol
LogP2.53
Rot. Bonds6

About (3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde

(3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde (PubChem CID 14216164) has the molecular formula C14H24O4Si and a molecular weight of 284.43 g/mol. Its IUPAC name is (3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde.

Molecular Properties

Compound Name(3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
PubChem CID14216164
Molecular FormulaC14H24O4Si
Molecular Weight284.43 g/mol
Exact Mass284.14
IUPAC Name(3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1C=O
InChIInChI=1S/C14H24O4Si/c1-4-19(5-2,6-3)18-13-8-12-10(11(13)9-15)7-14(16)17-12/h9-13H,4-8H2,1-3H3/t10-,11-,12+,13-/m1/s1
InChIKeyREQGGRBXTCRVDB-FVCCEPFGSA-N
XLogP2.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde?
The IUPAC name of (3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde (CID 14216164) is (3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde.
What is the SMILES notation for (3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde?
The canonical SMILES for (3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde is CC[Si](CC)(CC)O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1C=O.
What is the InChIKey of (3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde?
The InChIKey is REQGGRBXTCRVDB-FVCCEPFGSA-N. The full InChI is InChI=1S/C14H24O4Si/c1-4-19(5-2,6-3)18-13-8-12-10(11(13)9-15)7-14(16)17-12/h9-13H,4-8H2,1-3H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of (3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde?
(3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde has a molecular weight of 284.43 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde is sourced from PubChem (CID 14216164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).