trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane

C28H62Si6 — CID 139054439

IUPACtrimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane
SMILESC[Si](C)(C)[C@H]1[C@H]([Si](C)(C)C)[C@@H]([Si](C)(C)C)C2=C([C@H]([Si](C)(C)C)C=C[C@H]2[Si](C)(C)C)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C28H62Si6/c1-29(2,3)21-19-20-22(30(4,5)6)24-23(21)25(31(7,8)9)27(33(13,14)15)28(34(16,17)18)26(24)32(10,11)12/h19-22,25-28H,1-18H3/t21-,22-,25+,26+,27-,28-/m1/s1
InChIKeyBNPUQXLYKGJUSR-QPRBUEJRSA-N
MW567.32 g/mol
LogP11.12
Rot. Bonds6

About trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane

trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane (PubChem CID 139054439) has the molecular formula C28H62Si6 and a molecular weight of 567.32 g/mol. Its IUPAC name is trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane.

Molecular Properties

Compound Nametrimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane
PubChem CID139054439
Molecular FormulaC28H62Si6
Molecular Weight567.32 g/mol
Exact Mass566.35
IUPAC Nametrimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane
SMILESC[Si](C)(C)[C@H]1[C@H]([Si](C)(C)C)[C@@H]([Si](C)(C)C)C2=C([C@H]([Si](C)(C)C)C=C[C@H]2[Si](C)(C)C)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C28H62Si6/c1-29(2,3)21-19-20-22(30(4,5)6)24-23(21)25(31(7,8)9)27(33(13,14)15)28(34(16,17)18)26(24)32(10,11)12/h19-22,25-28H,1-18H3/t21-,22-,25+,26+,27-,28-/m1/s1
InChIKeyBNPUQXLYKGJUSR-QPRBUEJRSA-N
XLogP11.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.32
LogP ≤ 511.12
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

trimethyl-(2-trimethylsilylcyclopenta-2,4-dien-1-yl)silane
CID 11987086
trimethyl-(2-methyl-4-trimethylsilylcyclohexa-2,5-dien-1-yl)silane
CID 12596435
[2-cyclopenta-2,4-dien-1-yl-4,5,6-tris(trimethylsilyl)cyclohexa-1,3-dien-1-yl]-trimethylsilane
CID 101081148
trimethyl-[(1S,2S,3R,4R,5R,6R)-4-trimethylsilyl-3-tricyclo[4.2.1.02,5]non-7-enyl]silane
CID 101474513
[(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane
CID 16723468
[2-(furan-2-yl)cyclopenta-2,4-dien-1-yl]-trimethylsilane
CID 175924863
cis-(1S,3R)-2-trimethylsilylcyclohexane-1,3-diol
CID 10899414
(1R,5S,6R,7R)-6,7-bis(trimethylsilyl)-2,4-dioxabicyclo[3.2.0]heptane-3-thione
CID 12996447
trimethyl-[(5R,6R,11S,12S)-6,11,12-tris(trimethylsilyl)-5,6,11,12-tetrahydrotetracen-5-yl]silane
CID 132992519
trimethyl-(3-trimethylsilyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silane
CID 123227996
trimethyl-[(1S,4R)-2,3,5-triphenyl-4-trimethylsilylcyclopent-2-en-1-yl]silane
CID 122210293
1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene
CID 154982040

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane?
The IUPAC name of trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane (CID 139054439) is trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane.
What is the SMILES notation for trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane?
The canonical SMILES for trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane is C[Si](C)(C)[C@H]1[C@H]([Si](C)(C)C)[C@@H]([Si](C)(C)C)C2=C([C@H]([Si](C)(C)C)C=C[C@H]2[Si](C)(C)C)[C@@H]1[Si](C)(C)C.
What is the InChIKey of trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane?
The InChIKey is BNPUQXLYKGJUSR-QPRBUEJRSA-N. The full InChI is InChI=1S/C28H62Si6/c1-29(2,3)21-19-20-22(30(4,5)6)24-23(21)25(31(7,8)9)27(33(13,14)15)28(34(16,17)18)26(24)32(10,11)12/h19-22,25-28H,1-18H3/t21-,22-,25+,26+,27-,28-/m1/s1.
What are the key properties of trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane?
trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane has a molecular weight of 567.32 g/mol, XLogP of 11.12, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1S,2R,3R,4S,5R,8R)-1,3,4,5,8-pentakis(trimethylsilyl)-1,2,3,4,5,8-hexahydronaphthalen-2-yl]silane is sourced from PubChem (CID 139054439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).