[(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane

C27H50O2Si2 — CID 11026965

IUPAC[(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)C=C2[C@@H](CO[Si](C)(C)C(C)(C)C)CC[C@@H]3[C@H]([C@@H]21)C3(C)C
InChIInChI=1S/C27H50O2Si2/c1-18-22(29-31(12,13)26(5,6)7)16-20-19(17-28-30(10,11)25(2,3)4)14-15-21-24(23(18)20)27(21,8)9/h16,19,21,23-24H,14-15,17H2,1-13H3/t19-,21-,23-,24-/m1/s1
InChIKeyUOXJUDIOWGAULG-WDWDUUAGSA-N
MW462.87 g/mol
LogP8.54
Rot. Bonds5

About [(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane

[(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11026965) has the molecular formula C27H50O2Si2 and a molecular weight of 462.87 g/mol. Its IUPAC name is [(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11026965
Molecular FormulaC27H50O2Si2
Molecular Weight462.87 g/mol
Exact Mass462.33
IUPAC Name[(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane
SMILESCC1=C(O[Si](C)(C)C(C)(C)C)C=C2[C@@H](CO[Si](C)(C)C(C)(C)C)CC[C@@H]3[C@H]([C@@H]21)C3(C)C
InChIInChI=1S/C27H50O2Si2/c1-18-22(29-31(12,13)26(5,6)7)16-20-19(17-28-30(10,11)25(2,3)4)14-15-21-24(23(18)20)27(21,8)9/h16,19,21,23-24H,14-15,17H2,1-13H3/t19-,21-,23-,24-/m1/s1
InChIKeyUOXJUDIOWGAULG-WDWDUUAGSA-N
XLogP8.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.87
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane with MolForge

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Related Compounds

(1R,2R,4R,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
CID 11426464
(1S,4R,7R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dimethylbicyclo[5.1.0]octan-3-ol
CID 10924524
tert-butyl-dimethyl-[[(1R,5R)-2,5,6,6-tetramethylcyclohex-2-en-1-yl]methoxy]silane
CID 132558837
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,5,6,7-hexahydroinden-1-one
CID 135062140
tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane
CID 177446377
tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane
CID 58760686
tert-butyl-[[(2S,5R,7S,10S)-1,11-diphenyl-18-oxapentacyclo[9.6.1.02,10.05,7.012,17]octadeca-12,14,16-trien-6-yl]methoxy]-dimethylsilane
CID 132937477
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohex-2-en-1-one
CID 101372674
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one
CID 91799042
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one
CID 101180860
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499

Frequently Asked Questions

What is the IUPAC name of [(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane (CID 11026965) is [(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane is CC1=C(O[Si](C)(C)C(C)(C)C)C=C2[C@@H](CO[Si](C)(C)C(C)(C)C)CC[C@@H]3[C@H]([C@@H]21)C3(C)C.
What is the InChIKey of [(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is UOXJUDIOWGAULG-WDWDUUAGSA-N. The full InChI is InChI=1S/C27H50O2Si2/c1-18-22(29-31(12,13)26(5,6)7)16-20-19(17-28-30(10,11)25(2,3)4)14-15-21-24(23(18)20)27(21,8)9/h16,19,21,23-24H,14-15,17H2,1-13H3/t19-,21-,23-,24-/m1/s1.
What are the key properties of [(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane?
[(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 462.87 g/mol, XLogP of 8.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1aR,4S,7aS,7bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,1,7-trimethyl-1a,2,3,4,7a,7b-hexahydrocyclopropa[e]azulen-6-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11026965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).