(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

C26H46O6Si — CID 99772550

IUPAC(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)O[C@H]2O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@](O)(/C=C/[C@@]34CC[C@@H](C[C@H]3O)C4(C)C)[C@H]2O1
InChIInChI=1S/C26H46O6Si/c1-22(2,3)33(8,9)29-15-11-19-26(28,20-21(30-19)32-24(6,7)31-20)14-13-25-12-10-17(16-18(25)27)23(25,4)5/h13-14,17-21,27-28H,10-12,15-16H2,1-9H3/b14-13+/t17-,18+,19+,20-,21+,25-,26+/m0/s1
InChIKeyGSZXMOZWPMPAMT-VOOGFTNJSA-N
MW482.73 g/mol
LogP4.75
Rot. Bonds6

About (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol

(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (PubChem CID 99772550) has the molecular formula C26H46O6Si and a molecular weight of 482.73 g/mol. Its IUPAC name is (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
PubChem CID99772550
Molecular FormulaC26H46O6Si
Molecular Weight482.73 g/mol
Exact Mass482.31
IUPAC Name(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)O[C@H]2O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@](O)(/C=C/[C@@]34CC[C@@H](C[C@H]3O)C4(C)C)[C@H]2O1
InChIInChI=1S/C26H46O6Si/c1-22(2,3)33(8,9)29-15-11-19-26(28,20-21(30-19)32-24(6,7)31-20)14-13-25-12-10-17(16-18(25)27)23(25,4)5/h13-14,17-21,27-28H,10-12,15-16H2,1-9H3/b14-13+/t17-,18+,19+,20-,21+,25-,26+/m0/s1
InChIKeyGSZXMOZWPMPAMT-VOOGFTNJSA-N
XLogP4.75
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.73
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol with MolForge

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Related Compounds

(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(2R)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 117070769
(2R,4S,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[(E)-2-(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)ethenyl]-2-phenyl-1,3-dioxan-5-ol
CID 117070774
1-[(E)-2-[(5R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-hydroxy-2,2-dimethyl-1,3-dioxan-5-yl]ethenyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 117070760
(2R,4R,5S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-[2-[(1R,2S,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethynyl]-2-phenyl-1,3-dioxan-5-ol
CID 99961699
[(3'R,3aR,4'S,5R,6S,6aR)-3'-acetyloxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6'-hydroxy-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]-4'-yl] acetate
CID 101202169
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-6-one
CID 85273901
(3aS,4S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-trimethylsilyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran-7a-ol
CID 101251160
(1S,2S,4S)-1-(2,2-dibromoethenyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 98167930
(E)-5-[(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pent-2-en-1-ol
CID 11078469
[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899
[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methyloxiran-2-yl]methanol
CID 74036562
[(2R,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-yl]methanol
CID 11459641

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol (CID 99772550) is (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is CC1(C)O[C@H]2O[C@H](CCO[Si](C)(C)C(C)(C)C)[C@](O)(/C=C/[C@@]34CC[C@@H](C[C@H]3O)C4(C)C)[C@H]2O1.
What is the InChIKey of (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
The InChIKey is GSZXMOZWPMPAMT-VOOGFTNJSA-N. The full InChI is InChI=1S/C26H46O6Si/c1-22(2,3)33(8,9)29-15-11-19-26(28,20-21(30-19)32-24(6,7)31-20)14-13-25-12-10-17(16-18(25)27)23(25,4)5/h13-14,17-21,27-28H,10-12,15-16H2,1-9H3/b14-13+/t17-,18+,19+,20-,21+,25-,26+/m0/s1.
What are the key properties of (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol?
(3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol has a molecular weight of 482.73 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6R,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(E)-2-[(1R,2R,4S)-2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]ethenyl]-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 99772550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).