3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline

C18H28OSi — CID 11266223

IUPAC3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline
SMILESCCCCCCC1=CCC(c2ccccc2)O[Si]1(C)C
InChIInChI=1S/C18H28OSi/c1-4-5-6-10-13-17-14-15-18(19-20(17,2)3)16-11-8-7-9-12-16/h7-9,11-12,14,18H,4-6,10,13,15H2,1-3H3
InChIKeyGHLFGEUVTYCMLO-UHFFFAOYSA-N
MW288.51 g/mol
LogP5.79
Rot. Bonds6

About 3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline

3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline (PubChem CID 11266223) has the molecular formula C18H28OSi and a molecular weight of 288.51 g/mol. Its IUPAC name is 3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline.

Molecular Properties

Compound Name3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline
PubChem CID11266223
Molecular FormulaC18H28OSi
Molecular Weight288.51 g/mol
Exact Mass288.19
IUPAC Name3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline
SMILESCCCCCCC1=CCC(c2ccccc2)O[Si]1(C)C
InChIInChI=1S/C18H28OSi/c1-4-5-6-10-13-17-14-15-18(19-20(17,2)3)16-11-8-7-9-12-16/h7-9,11-12,14,18H,4-6,10,13,15H2,1-3H3
InChIKeyGHLFGEUVTYCMLO-UHFFFAOYSA-N
XLogP5.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.51
LogP ≤ 55.79
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline?
The IUPAC name of 3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline (CID 11266223) is 3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline.
What is the SMILES notation for 3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline?
The canonical SMILES for 3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline is CCCCCCC1=CCC(c2ccccc2)O[Si]1(C)C.
What is the InChIKey of 3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline?
The InChIKey is GHLFGEUVTYCMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28OSi/c1-4-5-6-10-13-17-14-15-18(19-20(17,2)3)16-11-8-7-9-12-16/h7-9,11-12,14,18H,4-6,10,13,15H2,1-3H3.
What are the key properties of 3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline?
3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline has a molecular weight of 288.51 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline is sourced from PubChem (CID 11266223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).