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

C12H16OSi — CID 11401459

IUPAC2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline
SMILESC[Si]1(C)C=CCC(c2ccccc2)O1
InChIInChI=1S/C12H16OSi/c1-14(2)10-6-9-12(13-14)11-7-4-3-5-8-11/h3-8,10,12H,9H2,1-2H3
InChIKeyIKPNXAIGJZHKQY-UHFFFAOYSA-N
MW204.35 g/mol
LogP3.45
Rot. Bonds1

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

2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline (PubChem CID 11401459) has the molecular formula C12H16OSi and a molecular weight of 204.35 g/mol. Its IUPAC name is 2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline.

Molecular Properties

Compound Name2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline
PubChem CID11401459
Molecular FormulaC12H16OSi
Molecular Weight204.35 g/mol
Exact Mass204.10
IUPAC Name2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline
SMILESC[Si]1(C)C=CCC(c2ccccc2)O1
InChIInChI=1S/C12H16OSi/c1-14(2)10-6-9-12(13-14)11-7-4-3-5-8-11/h3-8,10,12H,9H2,1-2H3
InChIKeyIKPNXAIGJZHKQY-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline?
The IUPAC name of 2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline (CID 11401459) is 2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline.
What is the SMILES notation for 2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline?
The canonical SMILES for 2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline is C[Si]1(C)C=CCC(c2ccccc2)O1.
What is the InChIKey of 2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline?
The InChIKey is IKPNXAIGJZHKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OSi/c1-14(2)10-6-9-12(13-14)11-7-4-3-5-8-11/h3-8,10,12H,9H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline?
2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline has a molecular weight of 204.35 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline is sourced from PubChem (CID 11401459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).