(3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one

C8H16O2Si — CID 71374857

IUPAC(3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one
SMILESCC[C@H]1OC(=O)[C@H]1[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-5-6-7(8(9)10-6)11(2,3)4/h6-7H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyHSLKCCNEEPYDMB-RQJHMYQMSA-N
MW172.30 g/mol
LogP2.03
Rot. Bonds2

About (3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one

(3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one (PubChem CID 71374857) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is (3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one.

Molecular Properties

Compound Name(3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one
PubChem CID71374857
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name(3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one
SMILESCC[C@H]1OC(=O)[C@H]1[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-5-6-7(8(9)10-6)11(2,3)4/h6-7H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyHSLKCCNEEPYDMB-RQJHMYQMSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.03
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'}

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Related Compounds

4-Ethyl-3-trimethylsilyloxetan-2-one
CID 327320
(3R,4S)-4-ethyl-3-trimethylsilyloxetan-2-one
CID 12426044
(3R,4R)-4-ethyl-3-trimethylsilyloxetan-2-one
CID 12426045
4-Propyl-3-trimethylsilyloxetan-2-one
CID 12426046
(3R,4S)-4-propyl-3-trimethylsilyloxetan-2-one
CID 12426047
(3R,4R)-4-propyl-3-trimethylsilyloxetan-2-one
CID 12426048
4-(Propan-2-yl)-3-(trimethylsilyl)oxetan-2-one
CID 12426049
(3R,4S)-4-propan-2-yl-3-trimethylsilyloxetan-2-one
CID 12426050
(3R,4R)-4-propan-2-yl-3-trimethylsilyloxetan-2-one
CID 12426051
(3S,4R)-4-tert-butyl-3-trimethylsilyloxetan-2-one
CID 134917557
(3R,4S)-4-tert-butyl-3-trimethylsilyloxetan-2-one
CID 134919466
(3R,4R)-4-tert-butyl-3-trimethylsilyloxetan-2-one
CID 134988903

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one?
The IUPAC name of (3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one (CID 71374857) is (3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one.
What is the SMILES notation for (3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one?
The canonical SMILES for (3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one is CC[C@H]1OC(=O)[C@H]1[Si](C)(C)C.
What is the InChIKey of (3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one?
The InChIKey is HSLKCCNEEPYDMB-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-5-6-7(8(9)10-6)11(2,3)4/h6-7H,5H2,1-4H3/t6-,7+/m1/s1.
What are the key properties of (3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one?
(3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one has a molecular weight of 172.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-ethyl-3-trimethylsilyloxetan-2-one is sourced from PubChem (CID 71374857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).