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

C8H14O2Si — CID 10080813

IUPAC(3E)-3-(trimethylsilylmethylidene)oxolan-2-one
SMILESC[Si](C)(C)/C=C1\CCOC1=O
InChIInChI=1S/C8H14O2Si/c1-11(2,3)6-7-4-5-10-8(7)9/h6H,4-5H2,1-3H3/b7-6+
InChIKeyDWXUTSUJGVGFGQ-VOTSOKGWSA-N
MW170.28 g/mol
LogP1.74
Rot. Bonds1

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

(3E)-3-(trimethylsilylmethylidene)oxolan-2-one (PubChem CID 10080813) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is (3E)-3-(trimethylsilylmethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3E)-3-(trimethylsilylmethylidene)oxolan-2-one
PubChem CID10080813
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name(3E)-3-(trimethylsilylmethylidene)oxolan-2-one
SMILESC[Si](C)(C)/C=C1\CCOC1=O
InChIInChI=1S/C8H14O2Si/c1-11(2,3)6-7-4-5-10-8(7)9/h6H,4-5H2,1-3H3/b7-6+
InChIKeyDWXUTSUJGVGFGQ-VOTSOKGWSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.74
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-(trimethylsilyloxymethylidene)oxolan-2-one
CID 12712905
3-(((Trimethylsilyl)oxy)methylene)dihydro-2(3H)-furanone
CID 3003922
(3E)-3-(2-trimethylsilylethylidene)oxolan-2-one
CID 16094032
(3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one
CID 134995349
(3E)-5-methyl-3-(trimethylsilylmethylidene)oxolan-2-one
CID 10081097
3-[Chloro(dimethyl)silyl]propyl 2-methylidenebutanoate
CID 22368599
2-[Chloro(dimethyl)silyl]ethyl 2-methylidenebutanoate
CID 22368601
3-(Trimethylsilylmethylidene)oxolan-2-one
CID 53783539
Methyl 2-methylidene-4-trimethylsilyloxybutanoate
CID 57260729
Ethane;3-methylideneoxolan-2-one
CID 90917260
2-[Dichloro(methyl)silyl]ethyl 2-methylidenebutanoate
CID 139621807
4-Methylidene-3-trimethylsilyloxolan-2-one
CID 154480148

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(trimethylsilylmethylidene)oxolan-2-one?
The IUPAC name of (3E)-3-(trimethylsilylmethylidene)oxolan-2-one (CID 10080813) is (3E)-3-(trimethylsilylmethylidene)oxolan-2-one.
What is the SMILES notation for (3E)-3-(trimethylsilylmethylidene)oxolan-2-one?
The canonical SMILES for (3E)-3-(trimethylsilylmethylidene)oxolan-2-one is C[Si](C)(C)/C=C1\CCOC1=O.
What is the InChIKey of (3E)-3-(trimethylsilylmethylidene)oxolan-2-one?
The InChIKey is DWXUTSUJGVGFGQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-11(2,3)6-7-4-5-10-8(7)9/h6H,4-5H2,1-3H3/b7-6+.
What are the key properties of (3E)-3-(trimethylsilylmethylidene)oxolan-2-one?
(3E)-3-(trimethylsilylmethylidene)oxolan-2-one has a molecular weight of 170.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(trimethylsilylmethylidene)oxolan-2-one is sourced from PubChem (CID 10080813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).