chloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane

C21H23ClSi — CID 174437941

IUPACchloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane
SMILESC[Si](C)(Cl)C1(c2cccc3c2ccc2ccccc23)CCCC1
InChIInChI=1S/C21H23ClSi/c1-23(2,22)21(14-5-6-15-21)20-11-7-10-18-17-9-4-3-8-16(17)12-13-19(18)20/h3-4,7-13H,5-6,14-15H2,1-2H3
InChIKeySRDKLJNBJMGJKA-UHFFFAOYSA-N
MW338.95 g/mol
LogP6.79
Rot. Bonds2

About chloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane

chloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane (PubChem CID 174437941) has the molecular formula C21H23ClSi and a molecular weight of 338.95 g/mol. Its IUPAC name is chloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane.

Molecular Properties

Compound Namechloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane
PubChem CID174437941
Molecular FormulaC21H23ClSi
Molecular Weight338.95 g/mol
Exact Mass338.13
IUPAC Namechloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane
SMILESC[Si](C)(Cl)C1(c2cccc3c2ccc2ccccc23)CCCC1
InChIInChI=1S/C21H23ClSi/c1-23(2,22)21(14-5-6-15-21)20-11-7-10-18-17-9-4-3-8-16(17)12-13-19(18)20/h3-4,7-13H,5-6,14-15H2,1-2H3
InChIKeySRDKLJNBJMGJKA-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.95
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

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CID 91502072
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Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane?
The IUPAC name of chloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane (CID 174437941) is chloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane.
What is the SMILES notation for chloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane?
The canonical SMILES for chloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane is C[Si](C)(Cl)C1(c2cccc3c2ccc2ccccc23)CCCC1.
What is the InChIKey of chloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane?
The InChIKey is SRDKLJNBJMGJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClSi/c1-23(2,22)21(14-5-6-15-21)20-11-7-10-18-17-9-4-3-8-16(17)12-13-19(18)20/h3-4,7-13H,5-6,14-15H2,1-2H3.
What are the key properties of chloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane?
chloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane has a molecular weight of 338.95 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-(1-phenanthren-1-ylcyclopentyl)silane is sourced from PubChem (CID 174437941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).