3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane

C21H36O3Si — CID 123187601

IUPAC3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane
SMILESCC(C)O[SiH](CCCOC1CCC(c2ccccc2)CC1)OC(C)C
InChIInChI=1S/C21H36O3Si/c1-17(2)23-25(24-18(3)4)16-8-15-22-21-13-11-20(12-14-21)19-9-6-5-7-10-19/h5-7,9-10,17-18,20-21,25H,8,11-16H2,1-4H3
InChIKeyVOLCAGFCXYHHOQ-UHFFFAOYSA-N
MW364.60 g/mol
LogP5.19
Rot. Bonds10

About 3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane

3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane (PubChem CID 123187601) has the molecular formula C21H36O3Si and a molecular weight of 364.60 g/mol. Its IUPAC name is 3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane.

Molecular Properties

Compound Name3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane
PubChem CID123187601
Molecular FormulaC21H36O3Si
Molecular Weight364.60 g/mol
Exact Mass364.24
IUPAC Name3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane
SMILESCC(C)O[SiH](CCCOC1CCC(c2ccccc2)CC1)OC(C)C
InChIInChI=1S/C21H36O3Si/c1-17(2)23-25(24-18(3)4)16-8-15-22-21-13-11-20(12-14-21)19-9-6-5-7-10-19/h5-7,9-10,17-18,20-21,25H,8,11-16H2,1-4H3
InChIKeyVOLCAGFCXYHHOQ-UHFFFAOYSA-N
XLogP5.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.60
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane?
The IUPAC name of 3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane (CID 123187601) is 3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane.
What is the SMILES notation for 3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane?
The canonical SMILES for 3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane is CC(C)O[SiH](CCCOC1CCC(c2ccccc2)CC1)OC(C)C.
What is the InChIKey of 3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane?
The InChIKey is VOLCAGFCXYHHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O3Si/c1-17(2)23-25(24-18(3)4)16-8-15-22-21-13-11-20(12-14-21)19-9-6-5-7-10-19/h5-7,9-10,17-18,20-21,25H,8,11-16H2,1-4H3.
What are the key properties of 3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane?
3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane has a molecular weight of 364.60 g/mol, XLogP of 5.19, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylcyclohexyl)oxypropyl-di(propan-2-yloxy)silane is sourced from PubChem (CID 123187601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).