(2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde

C19H34O4Si — CID 10383519

IUPAC(2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde
SMILESCC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2O[C@H](C=O)C[C@H]2O1
InChIInChI=1S/C19H34O4Si/c1-7-8-9-10-15(23-24(5,6)19(2,3)4)17-12-18-16(22-17)11-14(13-20)21-18/h8-9,13-18H,7,10-12H2,1-6H3/b9-8+/t14-,15-,16+,17+,18+/m0/s1
InChIKeyTUUNJJDMRLMELE-SRSSEHASSA-N
MW354.56 g/mol
LogP4.25
Rot. Bonds7

About (2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde

(2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde (PubChem CID 10383519) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is (2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde
PubChem CID10383519
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Name(2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde
SMILESCC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2O[C@H](C=O)C[C@H]2O1
InChIInChI=1S/C19H34O4Si/c1-7-8-9-10-15(23-24(5,6)19(2,3)4)17-12-18-16(22-17)11-14(13-20)21-18/h8-9,13-18H,7,10-12H2,1-6H3/b9-8+/t14-,15-,16+,17+,18+/m0/s1
InChIKeyTUUNJJDMRLMELE-SRSSEHASSA-N
XLogP4.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.25
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde?
The IUPAC name of (2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde (CID 10383519) is (2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde.
What is the SMILES notation for (2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde?
The canonical SMILES for (2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde is CC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2O[C@H](C=O)C[C@H]2O1.
What is the InChIKey of (2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde?
The InChIKey is TUUNJJDMRLMELE-SRSSEHASSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-7-8-9-10-15(23-24(5,6)19(2,3)4)17-12-18-16(22-17)11-14(13-20)21-18/h8-9,13-18H,7,10-12H2,1-6H3/b9-8+/t14-,15-,16+,17+,18+/m0/s1.
What are the key properties of (2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde?
(2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde has a molecular weight of 354.56 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,5R,6aR)-5-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-carbaldehyde is sourced from PubChem (CID 10383519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).