[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane

C44H62Si2 — CID 101273706

IUPAC[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane
SMILESCC1(C)[C@@H]2CC[C@@H](C[Si](C)(C)C3=Cc4ccccc4[C@H]3CC[C@H]3C([Si](C)(C)C[C@@H]4CC[C@@H]5C[C@H]4C5(C)C)=Cc4ccccc43)[C@H]1C2
InChIInChI=1S/C44H62Si2/c1-43(2)33-19-17-31(39(43)25-33)27-45(5,6)41-23-29-13-9-11-15-35(29)37(41)21-22-38-36-16-12-10-14-30(36)24-42(38)46(7,8)28-32-18-20-34-26-40(32)44(34,3)4/h9-16,23-24,31-34,37-40H,17-22,25-28H2,1-8H3/t31-,32-,33+,34+,37+,38+,39+,40+/m0/s1
InChIKeyVNQIWZFCTCUUKW-XWNHBAMRSA-N
MW647.15 g/mol
LogP12.77
Rot. Bonds9

About [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane

[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane (PubChem CID 101273706) has the molecular formula C44H62Si2 and a molecular weight of 647.15 g/mol. Its IUPAC name is [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane.

Molecular Properties

Compound Name[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane
PubChem CID101273706
Molecular FormulaC44H62Si2
Molecular Weight647.15 g/mol
Exact Mass646.44
IUPAC Name[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane
SMILESCC1(C)[C@@H]2CC[C@@H](C[Si](C)(C)C3=Cc4ccccc4[C@H]3CC[C@H]3C([Si](C)(C)C[C@@H]4CC[C@@H]5C[C@H]4C5(C)C)=Cc4ccccc43)[C@H]1C2
InChIInChI=1S/C44H62Si2/c1-43(2)33-19-17-31(39(43)25-33)27-45(5,6)41-23-29-13-9-11-15-35(29)37(41)21-22-38-36-16-12-10-14-30(36)24-42(38)46(7,8)28-32-18-20-34-26-40(32)44(34,3)4/h9-16,23-24,31-34,37-40H,17-22,25-28H2,1-8H3/t31-,32-,33+,34+,37+,38+,39+,40+/m0/s1
InChIKeyVNQIWZFCTCUUKW-XWNHBAMRSA-N
XLogP12.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.15
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane with MolForge

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Related Compounds

(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-[4-[2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane
CID 101091348
2-[(2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethanol
CID 140535686
CID 136818522
CID 136818522
2-[[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-3,4-dihydroisoquinolin-2-ium
CID 10651011
(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl-(4-ethynylphenoxy)-dimethylsilane
CID 101372207
(1R,2S,5R)-6,6-dimethyl-2-[(2S)-2-phenylbut-3-enyl]bicyclo[3.1.1]heptane
CID 100973093
[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanamine
CID 12732836
[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 59952674
[(2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 140535687
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide
CID 134794500
tris[[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]borane
CID 135048273
tris[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]borane
CID 14106757

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane?
The IUPAC name of [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane (CID 101273706) is [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane.
What is the SMILES notation for [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane?
The canonical SMILES for [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane is CC1(C)[C@@H]2CC[C@@H](C[Si](C)(C)C3=Cc4ccccc4[C@H]3CC[C@H]3C([Si](C)(C)C[C@@H]4CC[C@@H]5C[C@H]4C5(C)C)=Cc4ccccc43)[C@H]1C2.
What is the InChIKey of [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane?
The InChIKey is VNQIWZFCTCUUKW-XWNHBAMRSA-N. The full InChI is InChI=1S/C44H62Si2/c1-43(2)33-19-17-31(39(43)25-33)27-45(5,6)41-23-29-13-9-11-15-35(29)37(41)21-22-38-36-16-12-10-14-30(36)24-42(38)46(7,8)28-32-18-20-34-26-40(32)44(34,3)4/h9-16,23-24,31-34,37-40H,17-22,25-28H2,1-8H3/t31-,32-,33+,34+,37+,38+,39+,40+/m0/s1.
What are the key properties of [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane?
[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane has a molecular weight of 647.15 g/mol, XLogP of 12.77, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-[(1R)-1-[2-[(1R)-2-[[(1R,2R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl-dimethylsilyl]-1H-inden-1-yl]ethyl]-1H-inden-2-yl]-dimethylsilane is sourced from PubChem (CID 101273706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).