[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane

C13H24Si — CID 134993439

IUPAC[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane
SMILESC[Si](C)(C)[C@H]1CCC=C2CCCC[C@H]21
InChIInChI=1S/C13H24Si/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13/h8,12-13H,4-7,9-10H2,1-3H3/t12-,13+/m1/s1
InChIKeyJOFHZRCANWKHER-OLZOCXBDSA-N
MW208.42 g/mol
LogP4.61
Rot. Bonds1

About [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane

[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane (PubChem CID 134993439) has the molecular formula C13H24Si and a molecular weight of 208.42 g/mol. Its IUPAC name is [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane
PubChem CID134993439
Molecular FormulaC13H24Si
Molecular Weight208.42 g/mol
Exact Mass208.16
IUPAC Name[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane
SMILESC[Si](C)(C)[C@H]1CCC=C2CCCC[C@H]21
InChIInChI=1S/C13H24Si/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13/h8,12-13H,4-7,9-10H2,1-3H3/t12-,13+/m1/s1
InChIKeyJOFHZRCANWKHER-OLZOCXBDSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,4a,5,6,7-Octahydronaphthalene
CID 12386532
Npc242765
CID 570683
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CID 9990715
[(E)-3-cyclohexylprop-2-enyl]-trimethylsilane
CID 11252579
[(E)-2-cyclohexylprop-1-enyl]-trimethylsilane
CID 12458691
[(Z)-3-cyclohexylprop-2-enyl]-trimethylsilane
CID 13215154
[2-(Cyclohexylmethyl)-2-propenyl](trimethyl)silane
CID 13551472
CID 54222867
CID 54222867
2-(4-Tert-butylcyclohexylidene)ethyl-trimethylsilane
CID 10922619
[(2E)-4-cyclohexylpenta-2,4-dienyl]-trimethylsilane
CID 11229798
[(6E)-8-cyclohexylocta-1,6-dien-3-yl]-triethylsilane
CID 11460962
[(E)-4-cyclohexylbut-2-enyl]-trimethylsilane
CID 11820449

Frequently Asked Questions

What is the IUPAC name of [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane?
The IUPAC name of [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane (CID 134993439) is [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane.
What is the SMILES notation for [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane?
The canonical SMILES for [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane is C[Si](C)(C)[C@H]1CCC=C2CCCC[C@H]21.
What is the InChIKey of [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane?
The InChIKey is JOFHZRCANWKHER-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H24Si/c1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13/h8,12-13H,4-7,9-10H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane?
[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane has a molecular weight of 208.42 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane is sourced from PubChem (CID 134993439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).