(3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one

C10H18O2Si — CID 10703131

IUPAC(3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one
SMILESC=C[C@H]1OC(=O)[C@H]1[C@@H](C)[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-6-8-9(10(11)12-8)7(2)13(3,4)5/h6-9H,1H2,2-5H3/t7-,8-,9+/m1/s1
InChIKeyIDSOARPKPZNJQP-HLTSFMKQSA-N
MW198.34 g/mol
LogP2.44
Rot. Bonds3

About (3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one

(3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one (PubChem CID 10703131) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is (3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one.

Molecular Properties

Compound Name(3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one
PubChem CID10703131
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name(3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one
SMILESC=C[C@H]1OC(=O)[C@H]1[C@@H](C)[Si](C)(C)C
InChIInChI=1S/C10H18O2Si/c1-6-8-9(10(11)12-8)7(2)13(3,4)5/h6-9H,1H2,2-5H3/t7-,8-,9+/m1/s1
InChIKeyIDSOARPKPZNJQP-HLTSFMKQSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-ethenyl-3-[(1S)-1-trimethylsilylethyl]oxetan-2-one
CID 134898159
Ethyl 3-acetyloxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 138976074
prop-2-enyl (2S,3R)-3-hydroxy-2-[(1R)-1-trimethylsilylethyl]pent-4-enoate
CID 10658762
Ethyl 3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylpent-4-enoate
CID 10827970
prop-2-enyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 101272505
but-3-en-2-yl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enoate
CID 101272506
ethyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enoate
CID 101691902
ethyl (2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enoate
CID 101691903

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one?
The IUPAC name of (3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one (CID 10703131) is (3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one.
What is the SMILES notation for (3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one?
The canonical SMILES for (3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one is C=C[C@H]1OC(=O)[C@H]1[C@@H](C)[Si](C)(C)C.
What is the InChIKey of (3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one?
The InChIKey is IDSOARPKPZNJQP-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-6-8-9(10(11)12-8)7(2)13(3,4)5/h6-9H,1H2,2-5H3/t7-,8-,9+/m1/s1.
What are the key properties of (3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one?
(3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one has a molecular weight of 198.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-ethenyl-3-[(1R)-1-trimethylsilylethyl]oxetan-2-one is sourced from PubChem (CID 10703131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).