4-methylidene-3-trimethylsilyloxolan-2-one

C8H14O2Si — CID 154480148

IUPAC4-methylidene-3-trimethylsilyloxolan-2-one
SMILESC=C1COC(=O)C1[Si](C)(C)C
InChIInChI=1S/C8H14O2Si/c1-6-5-10-8(9)7(6)11(2,3)4/h7H,1,5H2,2-4H3
InChIKeyQIXFZQCHAARUHB-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.81
Rot. Bonds1

About 4-methylidene-3-trimethylsilyloxolan-2-one

4-methylidene-3-trimethylsilyloxolan-2-one (PubChem CID 154480148) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-methylidene-3-trimethylsilyloxolan-2-one.

Molecular Properties

Compound Name4-methylidene-3-trimethylsilyloxolan-2-one
PubChem CID154480148
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name4-methylidene-3-trimethylsilyloxolan-2-one
SMILESC=C1COC(=O)C1[Si](C)(C)C
InChIInChI=1S/C8H14O2Si/c1-6-5-10-8(9)7(6)11(2,3)4/h7H,1,5H2,2-4H3
InChIKeyQIXFZQCHAARUHB-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
Ethyl 3-methyl-2-(trimethylsilyl)but-3-enoate
CID 12869999
(3E)-3-(trimethylsilylmethylidene)oxolan-2-one
CID 10080813
3-(Trimethylsilylmethylidene)oxolan-2-one
CID 53783539
2-(Trimethylsilylmethyl)prop-2-enyl butanoate
CID 87825299
(3E)-3-[[tert-butyl(dimethyl)silyl]methylidene]oxolan-2-one
CID 173587042
Methyl 2-methylidene-4-(2-methylprop-2-enoyloxy)-4-trimethylsilylbutanoate
CID 173646876
3-Triethylsilylpropyl 2-methylidenebutanoate
CID 175438161
3-Trimethylsilylpropyl 2-methylidenebutanoate
CID 177941137
3-(Trimethylsilyloxymethylidene)oxolan-2-one
CID 327676
Ethyl 2-methylidene-4-trimethylsilylbutanoate
CID 11424203

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-trimethylsilyloxolan-2-one?
The IUPAC name of 4-methylidene-3-trimethylsilyloxolan-2-one (CID 154480148) is 4-methylidene-3-trimethylsilyloxolan-2-one.
What is the SMILES notation for 4-methylidene-3-trimethylsilyloxolan-2-one?
The canonical SMILES for 4-methylidene-3-trimethylsilyloxolan-2-one is C=C1COC(=O)C1[Si](C)(C)C.
What is the InChIKey of 4-methylidene-3-trimethylsilyloxolan-2-one?
The InChIKey is QIXFZQCHAARUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-6-5-10-8(9)7(6)11(2,3)4/h7H,1,5H2,2-4H3.
What are the key properties of 4-methylidene-3-trimethylsilyloxolan-2-one?
4-methylidene-3-trimethylsilyloxolan-2-one has a molecular weight of 170.28 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-trimethylsilyloxolan-2-one is sourced from PubChem (CID 154480148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).