6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane

C14H20OSi — CID 102028323

IUPAC6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane
SMILESC[Si]1(C)CC2COC21CCc1ccccc1
InChIInChI=1S/C14H20OSi/c1-16(2)11-13-10-15-14(13,16)9-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyKVIQHWWFWYZXCH-UHFFFAOYSA-N
MW232.40 g/mol
LogP3.27
Rot. Bonds3

About 6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane

6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane (PubChem CID 102028323) has the molecular formula C14H20OSi and a molecular weight of 232.40 g/mol. Its IUPAC name is 6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane
PubChem CID102028323
Molecular FormulaC14H20OSi
Molecular Weight232.40 g/mol
Exact Mass232.13
IUPAC Name6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane
SMILESC[Si]1(C)CC2COC21CCc1ccccc1
InChIInChI=1S/C14H20OSi/c1-16(2)11-13-10-15-14(13,16)9-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyKVIQHWWFWYZXCH-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 53.27
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 6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane?
The IUPAC name of 6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane (CID 102028323) is 6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane.
What is the SMILES notation for 6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane?
The canonical SMILES for 6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane is C[Si]1(C)CC2COC21CCc1ccccc1.
What is the InChIKey of 6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane?
The InChIKey is KVIQHWWFWYZXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OSi/c1-16(2)11-13-10-15-14(13,16)9-8-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane?
6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane has a molecular weight of 232.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(2-phenylethyl)-2-oxa-6-silabicyclo[2.2.0]hexane is sourced from PubChem (CID 102028323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).