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

C18H34O4Si — CID 11046141

IUPAC(2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol
SMILESCC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2OC(O)C[C@H]2O1
InChIInChI=1S/C18H34O4Si/c1-7-8-9-10-13(22-23(5,6)18(2,3)4)14-11-15-16(20-14)12-17(19)21-15/h8-9,13-17,19H,7,10-12H2,1-6H3/b9-8+/t13-,14+,15+,16+,17?/m0/s1
InChIKeyIJEAEMYEFVFRTJ-UHLYZZKLSA-N
MW342.55 g/mol
LogP4.00
Rot. Bonds6

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

(2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol (PubChem CID 11046141) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is (2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol.

Molecular Properties

Compound Name(2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol
PubChem CID11046141
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name(2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol
SMILESCC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2OC(O)C[C@H]2O1
InChIInChI=1S/C18H34O4Si/c1-7-8-9-10-13(22-23(5,6)18(2,3)4)14-11-15-16(20-14)12-17(19)21-15/h8-9,13-17,19H,7,10-12H2,1-6H3/b9-8+/t13-,14+,15+,16+,17?/m0/s1
InChIKeyIJEAEMYEFVFRTJ-UHLYZZKLSA-N
XLogP4.00
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

(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
[(2S,4R)-4-[(E,1R)-1-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]oxetan-2-yl]methanol
CID 71484241
tert-butyl-dimethyl-[(Z,3S)-oct-5-en-1-yn-3-yl]oxysilane
CID 169074612
(E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-[(4S,6R)-2,2,6-trimethyl-1,3-dioxepan-4-yl]pent-2-en-1-ol
CID 71523826
[(1R)-1-[(2S,3aR,5R,6aR)-5-[(1R)-1-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethyl] acetate
CID 102182234
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]silane
CID 87355723
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
CID 87130449
[(2S,5S)-5-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 101359698
(5S)-5-[(1S)-2-azido-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-ol
CID 100999058
methyl (9R,12Z,15Z)-9-[tert-butyl(dimethyl)silyl]oxy-10-hydroxyoctadeca-12,15-dienoate
CID 11453494
[(2R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]methanol
CID 102271844
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3S)-3-methyloxiran-2-yl]propanal
CID 102012218

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol?
The IUPAC name of (2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol (CID 11046141) is (2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol.
What is the SMILES notation for (2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol?
The canonical SMILES for (2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol is CC/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C[C@H]2OC(O)C[C@H]2O1.
What is the InChIKey of (2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol?
The InChIKey is IJEAEMYEFVFRTJ-UHLYZZKLSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-7-8-9-10-13(22-23(5,6)18(2,3)4)14-11-15-16(20-14)12-17(19)21-15/h8-9,13-17,19H,7,10-12H2,1-6H3/b9-8+/t13-,14+,15+,16+,17?/m0/s1.
What are the key properties of (2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol?
(2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol has a molecular weight of 342.55 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ol is sourced from PubChem (CID 11046141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).