3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one

C14H18O2Si — CID 139774128

IUPAC3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one
SMILESCC1(C)OC(=O)C1=C[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H18O2Si/c1-14(2)12(13(15)16-14)10-17(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyXHCZJQMUAUIWBV-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.40
Rot. Bonds2

About 3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one

3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one (PubChem CID 139774128) has the molecular formula C14H18O2Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one.

Molecular Properties

Compound Name3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one
PubChem CID139774128
Molecular FormulaC14H18O2Si
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one
SMILESCC1(C)OC(=O)C1=C[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H18O2Si/c1-14(2)12(13(15)16-14)10-17(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyXHCZJQMUAUIWBV-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one?
The IUPAC name of 3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one (CID 139774128) is 3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one.
What is the SMILES notation for 3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one?
The canonical SMILES for 3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one is CC1(C)OC(=O)C1=C[Si](C)(C)c1ccccc1.
What is the InChIKey of 3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one?
The InChIKey is XHCZJQMUAUIWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2Si/c1-14(2)12(13(15)16-14)10-17(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3.
What are the key properties of 3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one?
3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one has a molecular weight of 246.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[dimethyl(phenyl)silyl]methylidene]-4,4-dimethyloxetan-2-one is sourced from PubChem (CID 139774128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).