dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane

C18H28Cl2OSi — CID 123271377

IUPACdichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane
SMILESCCCC1CCC(c2ccc(OCCC[SiH](Cl)Cl)cc2)CC1
InChIInChI=1S/C18H28Cl2OSi/c1-2-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)21-13-3-14-22(19)20/h9-12,15-16,22H,2-8,13-14H2,1H3
InChIKeyFXSXFIZUCQJQPT-UHFFFAOYSA-N
MW359.41 g/mol
LogP6.23
Rot. Bonds8

About dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane

dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane (PubChem CID 123271377) has the molecular formula C18H28Cl2OSi and a molecular weight of 359.41 g/mol. Its IUPAC name is dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane.

Molecular Properties

Compound Namedichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane
PubChem CID123271377
Molecular FormulaC18H28Cl2OSi
Molecular Weight359.41 g/mol
Exact Mass358.13
IUPAC Namedichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane
SMILESCCCC1CCC(c2ccc(OCCC[SiH](Cl)Cl)cc2)CC1
InChIInChI=1S/C18H28Cl2OSi/c1-2-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)21-13-3-14-22(19)20/h9-12,15-16,22H,2-8,13-14H2,1H3
InChIKeyFXSXFIZUCQJQPT-UHFFFAOYSA-N
XLogP6.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.41
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane?
The IUPAC name of dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane (CID 123271377) is dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane.
What is the SMILES notation for dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane?
The canonical SMILES for dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane is CCCC1CCC(c2ccc(OCCC[SiH](Cl)Cl)cc2)CC1.
What is the InChIKey of dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane?
The InChIKey is FXSXFIZUCQJQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28Cl2OSi/c1-2-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)21-13-3-14-22(19)20/h9-12,15-16,22H,2-8,13-14H2,1H3.
What are the key properties of dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane?
dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane has a molecular weight of 359.41 g/mol, XLogP of 6.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[3-[4-(4-propylcyclohexyl)phenoxy]propyl]silane is sourced from PubChem (CID 123271377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).