cyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane

C16H21OSi2- — CID 177421439

IUPACcyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane
SMILESC[Si](C)(O[Si](C)(C)C1=C[CH-]C=CC=C1)C1=C=CC=C1
InChIInChI=1S/C16H21OSi2/c1-18(2,15-11-7-5-6-8-12-15)17-19(3,4)16-13-9-10-14-16/h5-13H,1-4H3/q-1
InChIKeyYLGLJKWFYYVTQN-UHFFFAOYSA-N
MW285.51 g/mol
LogP4.40
Rot. Bonds4

About cyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane

cyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane (PubChem CID 177421439) has the molecular formula C16H21OSi2- and a molecular weight of 285.51 g/mol. Its IUPAC name is cyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Namecyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane
PubChem CID177421439
Molecular FormulaC16H21OSi2-
Molecular Weight285.51 g/mol
Exact Mass285.11
IUPAC Namecyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane
SMILESC[Si](C)(O[Si](C)(C)C1=C[CH-]C=CC=C1)C1=C=CC=C1
InChIInChI=1S/C16H21OSi2/c1-18(2,15-11-7-5-6-8-12-15)17-19(3,4)16-13-9-10-14-16/h5-13H,1-4H3/q-1
InChIKeyYLGLJKWFYYVTQN-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.51
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane?
The IUPAC name of cyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane (CID 177421439) is cyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for cyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane?
The canonical SMILES for cyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane is C[Si](C)(O[Si](C)(C)C1=C[CH-]C=CC=C1)C1=C=CC=C1.
What is the InChIKey of cyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane?
The InChIKey is YLGLJKWFYYVTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21OSi2/c1-18(2,15-11-7-5-6-8-12-15)17-19(3,4)16-13-9-10-14-16/h5-13H,1-4H3/q-1.
What are the key properties of cyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane?
cyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane has a molecular weight of 285.51 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,4,6-trien-1-yl-[cyclopenta-1,2,4-trien-1-yl(dimethyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 177421439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).