2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene

C17H16Cl2Si — CID 70149734

IUPAC2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene
SMILESC[Si]1(C)CC(Cl)(Cl)C2c3ccccc3-c3cccc1c32
InChIInChI=1S/C17H16Cl2Si/c1-20(2)10-17(18,19)16-13-7-4-3-6-11(13)12-8-5-9-14(20)15(12)16/h3-9,16H,10H2,1-2H3
InChIKeyRNQMOXIQTSKXAC-UHFFFAOYSA-N
MW319.31 g/mol
LogP4.90
Rot. Bonds

About 2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene

2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene (PubChem CID 70149734) has the molecular formula C17H16Cl2Si and a molecular weight of 319.31 g/mol. Its IUPAC name is 2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene.

Molecular Properties

Compound Name2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene
PubChem CID70149734
Molecular FormulaC17H16Cl2Si
Molecular Weight319.31 g/mol
Exact Mass318.04
IUPAC Name2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene
SMILESC[Si]1(C)CC(Cl)(Cl)C2c3ccccc3-c3cccc1c32
InChIInChI=1S/C17H16Cl2Si/c1-20(2)10-17(18,19)16-13-7-4-3-6-11(13)12-8-5-9-14(20)15(12)16/h3-9,16H,10H2,1-2H3
InChIKeyRNQMOXIQTSKXAC-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene?
The IUPAC name of 2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene (CID 70149734) is 2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene.
What is the SMILES notation for 2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene?
The canonical SMILES for 2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene is C[Si]1(C)CC(Cl)(Cl)C2c3ccccc3-c3cccc1c32.
What is the InChIKey of 2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene?
The InChIKey is RNQMOXIQTSKXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2Si/c1-20(2)10-17(18,19)16-13-7-4-3-6-11(13)12-8-5-9-14(20)15(12)16/h3-9,16H,10H2,1-2H3.
What are the key properties of 2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene?
2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene has a molecular weight of 319.31 g/mol, XLogP of 4.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-4,4-dimethyl-4-silatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene is sourced from PubChem (CID 70149734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).