trimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane

C21H30O2Si2 — CID 6427252

IUPACtrimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane
SMILESC[C@@]1(O[Si](C)(C)C)c2ccccc2-c2ccccc2[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C21H30O2Si2/c1-21(23-25(5,6)7)19-15-11-10-13-17(19)16-12-8-9-14-18(16)20(21)22-24(2,3)4/h8-15,20H,1-7H3/t20-,21+/m0/s1
InChIKeyPPOJRWZVMGHQCJ-LEWJYISDSA-N
MW370.64 g/mol
LogP6.33
Rot. Bonds4

About trimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane

trimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane (PubChem CID 6427252) has the molecular formula C21H30O2Si2 and a molecular weight of 370.64 g/mol. Its IUPAC name is trimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane.

Molecular Properties

Compound Nametrimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane
PubChem CID6427252
Molecular FormulaC21H30O2Si2
Molecular Weight370.64 g/mol
Exact Mass370.18
IUPAC Nametrimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane
SMILESC[C@@]1(O[Si](C)(C)C)c2ccccc2-c2ccccc2[C@@H]1O[Si](C)(C)C
InChIInChI=1S/C21H30O2Si2/c1-21(23-25(5,6)7)19-15-11-10-13-17(19)16-12-8-9-14-18(16)20(21)22-24(2,3)4/h8-15,20H,1-7H3/t20-,21+/m0/s1
InChIKeyPPOJRWZVMGHQCJ-LEWJYISDSA-N
XLogP6.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.64
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane?
The IUPAC name of trimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane (CID 6427252) is trimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane.
What is the SMILES notation for trimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane?
The canonical SMILES for trimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane is C[C@@]1(O[Si](C)(C)C)c2ccccc2-c2ccccc2[C@@H]1O[Si](C)(C)C.
What is the InChIKey of trimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane?
The InChIKey is PPOJRWZVMGHQCJ-LEWJYISDSA-N. The full InChI is InChI=1S/C21H30O2Si2/c1-21(23-25(5,6)7)19-15-11-10-13-17(19)16-12-8-9-14-18(16)20(21)22-24(2,3)4/h8-15,20H,1-7H3/t20-,21+/m0/s1.
What are the key properties of trimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane?
trimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane has a molecular weight of 370.64 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[(9R,10S)-9-methyl-10-trimethylsilyloxy-10H-phenanthren-9-yl]oxy]silane is sourced from PubChem (CID 6427252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).