cyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane

C26H33FOSi — CID 173235545

IUPACcyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc2cc3ccc(F)cc3cc2c1)(C(C)C)C1CCCCC1
InChIInChI=1S/C26H33FOSi/c1-18(2)29(19(3)4,26-8-6-5-7-9-26)28-25-13-11-21-14-20-10-12-24(27)16-22(20)15-23(21)17-25/h10-19,26H,5-9H2,1-4H3
InChIKeyNWMBMGGFKIDMHG-UHFFFAOYSA-N
MW408.63 g/mol
LogP8.61
Rot. Bonds5

About cyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane

cyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane (PubChem CID 173235545) has the molecular formula C26H33FOSi and a molecular weight of 408.63 g/mol. Its IUPAC name is cyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane.

Molecular Properties

Compound Namecyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane
PubChem CID173235545
Molecular FormulaC26H33FOSi
Molecular Weight408.63 g/mol
Exact Mass408.23
IUPAC Namecyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane
SMILESCC(C)[Si](Oc1ccc2cc3ccc(F)cc3cc2c1)(C(C)C)C1CCCCC1
InChIInChI=1S/C26H33FOSi/c1-18(2)29(19(3)4,26-8-6-5-7-9-26)28-25-13-11-21-14-20-10-12-24(27)16-22(20)15-23(21)17-25/h10-19,26H,5-9H2,1-4H3
InChIKeyNWMBMGGFKIDMHG-UHFFFAOYSA-N
XLogP8.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane?
The IUPAC name of cyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane (CID 173235545) is cyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane.
What is the SMILES notation for cyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane?
The canonical SMILES for cyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane is CC(C)[Si](Oc1ccc2cc3ccc(F)cc3cc2c1)(C(C)C)C1CCCCC1.
What is the InChIKey of cyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane?
The InChIKey is NWMBMGGFKIDMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FOSi/c1-18(2)29(19(3)4,26-8-6-5-7-9-26)28-25-13-11-21-14-20-10-12-24(27)16-22(20)15-23(21)17-25/h10-19,26H,5-9H2,1-4H3.
What are the key properties of cyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane?
cyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane has a molecular weight of 408.63 g/mol, XLogP of 8.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(7-fluoroanthracen-2-yl)oxy-di(propan-2-yl)silane is sourced from PubChem (CID 173235545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).