3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one

C15H20O2Si — CID 71424672

IUPAC3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one
SMILESC[Si](C)(C)CC(=C1CCOC1=O)c1ccccc1
InChIInChI=1S/C15H20O2Si/c1-18(2,3)11-14(12-7-5-4-6-8-12)13-9-10-17-15(13)16/h4-8H,9-11H2,1-3H3
InChIKeyZGYVQOSEGFAFSU-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.73
Rot. Bonds3

About 3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one

3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one (PubChem CID 71424672) has the molecular formula C15H20O2Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one.

Molecular Properties

Compound Name3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one
PubChem CID71424672
Molecular FormulaC15H20O2Si
Molecular Weight260.41 g/mol
Exact Mass260.12
IUPAC Name3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one
SMILESC[Si](C)(C)CC(=C1CCOC1=O)c1ccccc1
InChIInChI=1S/C15H20O2Si/c1-18(2,3)11-14(12-7-5-4-6-8-12)13-9-10-17-15(13)16/h4-8H,9-11H2,1-3H3
InChIKeyZGYVQOSEGFAFSU-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(1-phenylpropylidene)oxolan-2-one
CID 101088461
(3E)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one
CID 6038810
(3Z)-3-[1-[3-[(1E)-1-(2-oxooxolan-3-ylidene)ethyl]phenyl]ethylidene]oxolan-2-one
CID 6380723
(3E)-3-[1-(2-methylanilino)ethylidene]oxolan-2-one
CID 2815995
(3Z)-3-[1-(benzimidazol-1-yl)ethylidene]oxolan-2-one
CID 122219032
trimethyl-[(E)-2-phenyl-3-trimethylsilylprop-1-enyl]silane
CID 10015597
2-(1-phenylnonylidene)cyclopentan-1-one
CID 71428415
1-(2-oxooxolan-3-ylidene)ethylurea
CID 581538
(3E)-3-[(3-chlorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolan-2-one
CID 15383981
(2E)-2-(1-phenylethylidene)cyclododecan-1-one
CID 134874855
trimethyl(2-phenylpenta-2,3-dienyl)silane
CID 102425929
(2Z)-2-[hydroxy(phenyl)methylidene]cyclohexan-1-one
CID 6199853

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one?
The IUPAC name of 3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one (CID 71424672) is 3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one.
What is the SMILES notation for 3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one?
The canonical SMILES for 3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one is C[Si](C)(C)CC(=C1CCOC1=O)c1ccccc1.
What is the InChIKey of 3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one?
The InChIKey is ZGYVQOSEGFAFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2Si/c1-18(2,3)11-14(12-7-5-4-6-8-12)13-9-10-17-15(13)16/h4-8H,9-11H2,1-3H3.
What are the key properties of 3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one?
3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one has a molecular weight of 260.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenyl-2-trimethylsilylethylidene)oxolan-2-one is sourced from PubChem (CID 71424672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).