(3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one

C9H16O2Si — CID 10081097

IUPAC(3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one
SMILESCC1C/C(=C\[Si](C)(C)C)C(=O)O1
InChIInChI=1S/C9H16O2Si/c1-7-5-8(9(10)11-7)6-12(2,3)4/h6-7H,5H2,1-4H3/b8-6+
InChIKeyMQYURWQYYNRDDE-SOFGYWHQSA-N
MW184.31 g/mol
LogP2.13
Rot. Bonds1

About (3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one

(3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one (PubChem CID 10081097) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is (3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one
PubChem CID10081097
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name(3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one
SMILESCC1C/C(=C\[Si](C)(C)C)C(=O)O1
InChIInChI=1S/C9H16O2Si/c1-7-5-8(9(10)11-7)6-12(2,3)4/h6-7H,5H2,1-4H3/b8-6+
InChIKeyMQYURWQYYNRDDE-SOFGYWHQSA-N
XLogP2.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.13
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

gamma-Methyl-alpha-methylene-gamma-butyrolactone
CID 99939
(5S)-5-methyl-3-methylideneoxolan-2-one
CID 12303377
(5R)-5-methyl-3-methylideneoxolan-2-one
CID 12303376
(3E)-3-(trimethylsilylmethylidene)oxolan-2-one
CID 10080813
Ethyl 2-(2-trimethylsilylethenylidene)pentanoate
CID 134988506
(3E)-5-ethyl-3-(trimethylsilylmethylidene)oxolan-2-one
CID 15214120
3-(Trimethylsilylmethylidene)oxolan-2-one
CID 53783539
(3E)-3-[deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one
CID 59990297
5-Ethyl-3-(trimethylsilylmethylidene)oxolan-2-one
CID 72747527
5-Methyl-3,4-dimethylideneoxolan-2-one
CID 88883249
3-[Deuterio(trimethylsilyl)methylidene]-5-ethyloxolan-2-one
CID 91220470
3-Hex-1-enylidene-5-methyloxolan-2-one
CID 134424214

Frequently Asked Questions

What is the IUPAC name of (3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one?
The IUPAC name of (3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one (CID 10081097) is (3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one.
What is the SMILES notation for (3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one?
The canonical SMILES for (3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one is CC1C/C(=C\[Si](C)(C)C)C(=O)O1.
What is the InChIKey of (3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one?
The InChIKey is MQYURWQYYNRDDE-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-7-5-8(9(10)11-7)6-12(2,3)4/h6-7H,5H2,1-4H3/b8-6+.
What are the key properties of (3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one?
(3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one has a molecular weight of 184.31 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one is sourced from PubChem (CID 10081097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).