[(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane

C18H34OSi — CID 10017362

IUPAC[(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CC[C@H]2CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C)C1
InChIInChI=1S/C18H34OSi/c1-14-11-12-15-9-8-10-16(18(15,5)13-14)19-20(6,7)17(2,3)4/h15-16H,1,8-13H2,2-7H3/t15-,16-,18-/m1/s1
InChIKeyHYLZELBPHHUKPO-JFIYKMOQSA-N
MW294.56 g/mol
LogP5.92
Rot. Bonds2

About [(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane

[(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10017362) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is [(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10017362
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name[(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CC[C@H]2CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C)C1
InChIInChI=1S/C18H34OSi/c1-14-11-12-15-9-8-10-16(18(15,5)13-14)19-20(6,7)17(2,3)4/h15-16H,1,8-13H2,2-7H3/t15-,16-,18-/m1/s1
InChIKeyHYLZELBPHHUKPO-JFIYKMOQSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (CID 10017362) is [(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is C=C1CC[C@H]2CCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]2(C)C1.
What is the InChIKey of [(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is HYLZELBPHHUKPO-JFIYKMOQSA-N. The full InChI is InChI=1S/C18H34OSi/c1-14-11-12-15-9-8-10-16(18(15,5)13-14)19-20(6,7)17(2,3)4/h15-16H,1,8-13H2,2-7H3/t15-,16-,18-/m1/s1.
What are the key properties of [(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
[(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4aR,8aR)-8a-methyl-7-methylidene-1,2,3,4,4a,5,6,8-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10017362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).