[(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane

C16H30Si2 — CID 11076786

IUPAC[(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=CC=C([Si](C)(C)C)[C@@H]2CCCC[C@H]12
InChIInChI=1S/C16H30Si2/c1-17(2,3)15-11-12-16(18(4,5)6)14-10-8-7-9-13(14)15/h11-14H,7-10H2,1-6H3/t13-,14+
InChIKeyYKWKTGSPESIDBC-OKILXGFUSA-N
MW278.59 g/mol
LogP5.41
Rot. Bonds2

About [(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane

[(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane (PubChem CID 11076786) has the molecular formula C16H30Si2 and a molecular weight of 278.59 g/mol. Its IUPAC name is [(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane
PubChem CID11076786
Molecular FormulaC16H30Si2
Molecular Weight278.59 g/mol
Exact Mass278.19
IUPAC Name[(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=CC=C([Si](C)(C)C)[C@@H]2CCCC[C@H]12
InChIInChI=1S/C16H30Si2/c1-17(2,3)15-11-12-16(18(4,5)6)14-10-8-7-9-13(14)15/h11-14H,7-10H2,1-6H3/t13-,14+
InChIKeyYKWKTGSPESIDBC-OKILXGFUSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.59
LogP ≤ 55.41
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
[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane
CID 134993439
[(2R,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane
CID 101514007
[(4aS,8aS)-1-(2-methylprop-1-enyl)-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl]methyl-tris(trimethylsilyl)silane
CID 102298564
[(2S,3R)-2,3-dipropyl-4-trimethylsilyl-2,3,5,6,7,8-hexahydronaphthalen-1-yl]-trimethylsilane
CID 134832828
[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-trimethylsilane
CID 134979874
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
5,8-Dimethyl-1,2,3,4,4a,8a-hexahydronaphthalene;ethane
CID 144095202
[5-(3-Cyclohexylpropylidene)cyclohexa-1,3-dien-1-yl]-trimethylsilane
CID 172555604
(5,8-Dimethyl-1,2,3,4,4a,5-hexahydronaphthalen-2-yl)-trimethylsilane
CID 173903996
[(1S,8aR)-4-trimethylsilyl-1,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane
CID 11119434

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane?
The IUPAC name of [(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane (CID 11076786) is [(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane.
What is the SMILES notation for [(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane?
The canonical SMILES for [(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane is C[Si](C)(C)C1=CC=C([Si](C)(C)C)[C@@H]2CCCC[C@H]12.
What is the InChIKey of [(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane?
The InChIKey is YKWKTGSPESIDBC-OKILXGFUSA-N. The full InChI is InChI=1S/C16H30Si2/c1-17(2,3)15-11-12-16(18(4,5)6)14-10-8-7-9-13(14)15/h11-14H,7-10H2,1-6H3/t13-,14+.
What are the key properties of [(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane?
[(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane has a molecular weight of 278.59 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aS)-4-trimethylsilyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-trimethylsilane is sourced from PubChem (CID 11076786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).