[(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane

C21H42O2Si2 — CID 10430017

IUPAC[(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane
SMILESCC1(C)C[C@H](O[Si](C)(C)C)[C@@]2(C)CC[C@H](O[Si](C)(C)C)[C@]3(C)C[C@@H]3[C@@H]12
InChIInChI=1S/C21H42O2Si2/c1-19(2)14-17(23-25(8,9)10)20(3)12-11-16(22-24(5,6)7)21(4)13-15(21)18(19)20/h15-18H,11-14H2,1-10H3/t15-,16+,17+,18+,20-,21-/m1/s1
InChIKeyJCSKEABGKFVXPR-NOGVVBCBSA-N
MW382.74 g/mol
LogP6.30
Rot. Bonds4

About [(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane

[(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane (PubChem CID 10430017) has the molecular formula C21H42O2Si2 and a molecular weight of 382.74 g/mol. Its IUPAC name is [(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane
PubChem CID10430017
Molecular FormulaC21H42O2Si2
Molecular Weight382.74 g/mol
Exact Mass382.27
IUPAC Name[(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane
SMILESCC1(C)C[C@H](O[Si](C)(C)C)[C@@]2(C)CC[C@H](O[Si](C)(C)C)[C@]3(C)C[C@@H]3[C@@H]12
InChIInChI=1S/C21H42O2Si2/c1-19(2)14-17(23-25(8,9)10)20(3)12-11-16(22-24(5,6)7)21(4)13-15(21)18(19)20/h15-18H,11-14H2,1-10H3/t15-,16+,17+,18+,20-,21-/m1/s1
InChIKeyJCSKEABGKFVXPR-NOGVVBCBSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.74
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane?
The IUPAC name of [(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane (CID 10430017) is [(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane?
The canonical SMILES for [(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane is CC1(C)C[C@H](O[Si](C)(C)C)[C@@]2(C)CC[C@H](O[Si](C)(C)C)[C@]3(C)C[C@@H]3[C@@H]12.
What is the InChIKey of [(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane?
The InChIKey is JCSKEABGKFVXPR-NOGVVBCBSA-N. The full InChI is InChI=1S/C21H42O2Si2/c1-19(2)14-17(23-25(8,9)10)20(3)12-11-16(22-24(5,6)7)21(4)13-15(21)18(19)20/h15-18H,11-14H2,1-10H3/t15-,16+,17+,18+,20-,21-/m1/s1.
What are the key properties of [(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane?
[(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane has a molecular weight of 382.74 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1aR,2S,4aS,5S,7aS,7bR)-1a,4a,7,7-tetramethyl-2-trimethylsilyloxy-1,2,3,4,5,6,7a,7b-octahydrocyclopropa[e]azulen-5-yl]oxy-trimethylsilane is sourced from PubChem (CID 10430017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).