chloro-dicyclohexyloxy-phenoxysilane

C18H27ClO3Si — CID 69485487

IUPACchloro-dicyclohexyloxy-phenoxysilane
SMILESCl[Si](Oc1ccccc1)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C18H27ClO3Si/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2
InChIKeyFWPUNFDFYWKCDE-UHFFFAOYSA-N
MW354.95 g/mol
LogP5.44
Rot. Bonds6

About chloro-dicyclohexyloxy-phenoxysilane

chloro-dicyclohexyloxy-phenoxysilane (PubChem CID 69485487) has the molecular formula C18H27ClO3Si and a molecular weight of 354.95 g/mol. Its IUPAC name is chloro-dicyclohexyloxy-phenoxysilane.

Molecular Properties

Compound Namechloro-dicyclohexyloxy-phenoxysilane
PubChem CID69485487
Molecular FormulaC18H27ClO3Si
Molecular Weight354.95 g/mol
Exact Mass354.14
IUPAC Namechloro-dicyclohexyloxy-phenoxysilane
SMILESCl[Si](Oc1ccccc1)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C18H27ClO3Si/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2
InChIKeyFWPUNFDFYWKCDE-UHFFFAOYSA-N
XLogP5.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.95
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-dicyclohexyloxy-phenoxysilane?
The IUPAC name of chloro-dicyclohexyloxy-phenoxysilane (CID 69485487) is chloro-dicyclohexyloxy-phenoxysilane.
What is the SMILES notation for chloro-dicyclohexyloxy-phenoxysilane?
The canonical SMILES for chloro-dicyclohexyloxy-phenoxysilane is Cl[Si](Oc1ccccc1)(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of chloro-dicyclohexyloxy-phenoxysilane?
The InChIKey is FWPUNFDFYWKCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClO3Si/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2.
What are the key properties of chloro-dicyclohexyloxy-phenoxysilane?
chloro-dicyclohexyloxy-phenoxysilane has a molecular weight of 354.95 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dicyclohexyloxy-phenoxysilane is sourced from PubChem (CID 69485487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).