(3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one

C9H16O2Si — CID 134995349

IUPAC(3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one
SMILESC[Si](C)(C)C/C=C1/CCOC1=O
InChIInChI=1S/C9H16O2Si/c1-12(2,3)7-5-8-4-6-11-9(8)10/h5H,4,6-7H2,1-3H3/b8-5-
InChIKeyQFYPMWHVBRPMQO-YVMONPNESA-N
MW184.31 g/mol
LogP2.20
Rot. Bonds2

About (3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one

(3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one (PubChem CID 134995349) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is (3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one
PubChem CID134995349
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name(3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one
SMILESC[Si](C)(C)C/C=C1/CCOC1=O
InChIInChI=1S/C9H16O2Si/c1-12(2,3)7-5-8-4-6-11-9(8)10/h5H,4,6-7H2,1-3H3/b8-5-
InChIKeyQFYPMWHVBRPMQO-YVMONPNESA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.20
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-ethylidenedihydrofuran-2(3H)-one
CID 642784
3-(4-Methylpent-3-enylidene)oxolan-2-one
CID 85762279
(3E)-3-(4-methylpent-3-enylidene)oxolan-2-one
CID 101410410
(3Z)-3-ethylidene-tetrahydro-furan-2-one
CID 10011866
(3E)-3-(2-trimethylsilylethylidene)oxolan-2-one
CID 16094032
(3E)-3-propylidene-tetrahydro-furan-2-one
CID 5325630
(3E)-3-(2-methylpropylidene)oxolan-2-one
CID 5354290
(3E)-3-(trimethylsilylmethylidene)oxolan-2-one
CID 10080813
(3E)-3-pentylidene-tetrahydro-furan-2-one
CID 12320132
(3E)-3-hexylideneoxolan-2-one
CID 12427389
(3E)-3-[(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butylidene]oxolan-2-one
CID 25137599
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylpent-2-enoate
CID 60153401

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one?
The IUPAC name of (3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one (CID 134995349) is (3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one.
What is the SMILES notation for (3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one?
The canonical SMILES for (3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one is C[Si](C)(C)C/C=C1/CCOC1=O.
What is the InChIKey of (3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one?
The InChIKey is QFYPMWHVBRPMQO-YVMONPNESA-N. The full InChI is InChI=1S/C9H16O2Si/c1-12(2,3)7-5-8-4-6-11-9(8)10/h5H,4,6-7H2,1-3H3/b8-5-.
What are the key properties of (3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one?
(3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one has a molecular weight of 184.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2-trimethylsilylethylidene)oxolan-2-one is sourced from PubChem (CID 134995349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).