(4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one

C14H20O2Si — CID 134948232

IUPAC(4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one
SMILESCC[C@@H]1OC(=O)C[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20O2Si/c1-4-12-13(10-14(15)16-12)17(2,3)11-8-6-5-7-9-11/h5-9,12-13H,4,10H2,1-3H3/t12-,13+/m0/s1
InChIKeyQOJSGFPDFFDZRF-QWHCGFSZSA-N
MW248.40 g/mol
LogP2.70
Rot. Bonds3

About (4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one

(4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one (PubChem CID 134948232) has the molecular formula C14H20O2Si and a molecular weight of 248.40 g/mol. Its IUPAC name is (4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one
PubChem CID134948232
Molecular FormulaC14H20O2Si
Molecular Weight248.40 g/mol
Exact Mass248.12
IUPAC Name(4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one
SMILESCC[C@@H]1OC(=O)C[C@H]1[Si](C)(C)c1ccccc1
InChIInChI=1S/C14H20O2Si/c1-4-12-13(10-14(15)16-12)17(2,3)11-8-6-5-7-9-11/h5-9,12-13H,4,10H2,1-3H3/t12-,13+/m0/s1
InChIKeyQOJSGFPDFFDZRF-QWHCGFSZSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one
CID 10264713
4-(benzenesulfinyl)-5-ethyloxolan-2-one
CID 86031247
(4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 134901133
cyclopentyl-dimethyl-phenylsilane
CID 59962320
2-[(1R,2S,3R)-3-[dimethyl(phenyl)silyl]-2-formyl-5-oxocyclopentyl]acetic acid
CID 175221682
5-ethyl-4-(iodomethyl)oxolan-2-one
CID 102016789
(4R)-4-ethyloxetan-2-one
CID 14325240
trans-(3S,5R)-3-[dimethyl(phenyl)silyl]-5-phenylcyclohexan-1-one
CID 13216000
dimethyl-(3-octylcyclobut-2-en-1-yl)-phenylsilane
CID 101095441
(4R,5R)-5-(hydroxymethyl)-4-phenyloxolan-2-one
CID 25179342
5-(bromomethyl)-4-phenyloxolan-2-one
CID 59051964
dimethyl-[(1S,2R)-2-methylcyclohexyl]-phenylsilane
CID 11117937

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one?
The IUPAC name of (4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one (CID 134948232) is (4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one.
What is the SMILES notation for (4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one?
The canonical SMILES for (4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one is CC[C@@H]1OC(=O)C[C@H]1[Si](C)(C)c1ccccc1.
What is the InChIKey of (4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one?
The InChIKey is QOJSGFPDFFDZRF-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H20O2Si/c1-4-12-13(10-14(15)16-12)17(2,3)11-8-6-5-7-9-11/h5-9,12-13H,4,10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one?
(4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one has a molecular weight of 248.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[dimethyl(phenyl)silyl]-5-ethyloxolan-2-one is sourced from PubChem (CID 134948232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).