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

C19H36OSi — CID 57178905

IUPAC[(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC=C1CCC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
InChIInChI=1S/C19H36OSi/c1-8-15-11-9-12-16-17(13-10-14-19(15,16)5)20-21(6,7)18(2,3)4/h8,16-17H,9-14H2,1-7H3/t16-,17-,19+/m0/s1
InChIKeyFTMJRPJPZCCEQH-JENIJYKNSA-N
MW308.58 g/mol
LogP6.31
Rot. Bonds2

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

[(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 57178905) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is [(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID57178905
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name[(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC=C1CCC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C
InChIInChI=1S/C19H36OSi/c1-8-15-11-9-12-16-17(13-10-14-19(15,16)5)20-21(6,7)18(2,3)4/h8,16-17H,9-14H2,1-7H3/t16-,17-,19+/m0/s1
InChIKeyFTMJRPJPZCCEQH-JENIJYKNSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.31
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 [(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane (CID 57178905) is [(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is CC=C1CCC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@]12C.
What is the InChIKey of [(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is FTMJRPJPZCCEQH-JENIJYKNSA-N. The full InChI is InChI=1S/C19H36OSi/c1-8-15-11-9-12-16-17(13-10-14-19(15,16)5)20-21(6,7)18(2,3)4/h8,16-17H,9-14H2,1-7H3/t16-,17-,19+/m0/s1.
What are the key properties of [(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 308.58 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4aS,8aR)-5-ethylidene-4a-methyl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 57178905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).