[(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane

C24H50Si4 — CID 102298564

IUPAC[(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane
SMILESCC(C)=CC1=C(C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CC[C@@H]2CCCC[C@H]12
InChIInChI=1S/C24H50Si4/c1-20(2)18-24-22(17-16-21-14-12-13-15-23(21)24)19-28(25(3,4)5,26(6,7)8)27(9,10)11/h18,21,23H,12-17,19H2,1-11H3/t21-,23-/m0/s1
InChIKeyBAKZDJDYGWTQLG-GMAHTHKFSA-N
MW451.01 g/mol
LogP8.55
Rot. Bonds6

About [(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane

[(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane (PubChem CID 102298564) has the molecular formula C24H50Si4 and a molecular weight of 451.01 g/mol. Its IUPAC name is [(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane.

Molecular Properties

Compound Name[(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane
PubChem CID102298564
Molecular FormulaC24H50Si4
Molecular Weight451.01 g/mol
Exact Mass450.30
IUPAC Name[(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane
SMILESCC(C)=CC1=C(C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CC[C@@H]2CCCC[C@H]12
InChIInChI=1S/C24H50Si4/c1-20(2)18-24-22(17-16-21-14-12-13-15-23(21)24)19-28(25(3,4)5,26(6,7)8)27(9,10)11/h18,21,23H,12-17,19H2,1-11H3/t21-,23-/m0/s1
InChIKeyBAKZDJDYGWTQLG-GMAHTHKFSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.01
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(4aR,9aS)-10-trimethylsilyl-1,2,3,4,4a,5,6,7,8,9a-decahydroanthracen-9-yl]-trimethylsilane
CID 134832827
[(2R,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane
CID 101514007
[(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane
CID 134832828
trimethyl-[[(4R)-4-propan-2-ylcyclohexen-1-yl]methyl-bis(trimethylsilyl)silyl]silane
CID 135003622
Trimethyl-(15-trimethylsilyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),6-trienyl)silane
CID 10760890
2-Trimethylsilylmethyl-5-isopropyl-8-methylene-1,4,4A,5,6,7,8,8A-octahydronaphthalene
CID 101621175
2-Trimethylsilylmethyl-5-methylene-8-isopropyl-1,4,4A,5,6,7,8,8A-octahydronaphthalene
CID 101621176
trimethyl-[3-[2-(3-trimethylsilyl-3a,4,5,6,7,7a-hexahydro-3H-inden-1-yl)ethyl]-3a,4,5,6,7,7a-hexahydro-1H-inden-1-yl]silane
CID 140437582
Ethane;1-ethyl-2-(3-methylhexan-2-yl)-1,2,3,4,6,7-hexahydronaphthalene
CID 142056968
(5,8-Dimethyl-1,2,3,4,4a,5-hexahydronaphthalen-2-yl)-trimethylsilane
CID 173903996
[2-(1,2,3,4,4a,5,6,7-Octahydronaphthalen-1-yl)ethyl-methylsilyl]-dimethyl-propan-2-ylsilane
CID 176133240
Trimethyl-(15-trimethylsilyl-5-tricyclo[8.2.2.24,7]hexadeca-4(16),6-dienyl)silane
CID 10832405

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane?
The IUPAC name of [(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane (CID 102298564) is [(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane.
What is the SMILES notation for [(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane?
The canonical SMILES for [(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane is CC(C)=CC1=C(C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CC[C@@H]2CCCC[C@H]12.
What is the InChIKey of [(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane?
The InChIKey is BAKZDJDYGWTQLG-GMAHTHKFSA-N. The full InChI is InChI=1S/C24H50Si4/c1-20(2)18-24-22(17-16-21-14-12-13-15-23(21)24)19-28(25(3,4)5,26(6,7)8)27(9,10)11/h18,21,23H,12-17,19H2,1-11H3/t21-,23-/m0/s1.
What are the key properties of [(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane?
[(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane has a molecular weight of 451.01 g/mol, XLogP of 8.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane is sourced from PubChem (CID 102298564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).