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

C15H22O2Si — CID 10264713

IUPAC(4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one
SMILESCC[C@H]1OC(=O)C[C@@H]1C[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H22O2Si/c1-4-14-12(10-15(16)17-14)11-18(2,3)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyWXULVWMVAXTAMP-TZMCWYRMSA-N
MW262.42 g/mol
LogP2.94
Rot. Bonds4

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

(4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one (PubChem CID 10264713) has the molecular formula C15H22O2Si and a molecular weight of 262.42 g/mol. Its IUPAC name is (4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one
PubChem CID10264713
Molecular FormulaC15H22O2Si
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name(4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one
SMILESCC[C@H]1OC(=O)C[C@@H]1C[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H22O2Si/c1-4-14-12(10-15(16)17-14)11-18(2,3)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3/t12-,14-/m1/s1
InChIKeyWXULVWMVAXTAMP-TZMCWYRMSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one?
The IUPAC name of (4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one (CID 10264713) is (4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one.
What is the SMILES notation for (4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one?
The canonical SMILES for (4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one is CC[C@H]1OC(=O)C[C@@H]1C[Si](C)(C)c1ccccc1.
What is the InChIKey of (4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one?
The InChIKey is WXULVWMVAXTAMP-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-4-14-12(10-15(16)17-14)11-18(2,3)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of (4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one?
(4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one has a molecular weight of 262.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[[dimethyl(phenyl)silyl]methyl]-5-ethyloxolan-2-one is sourced from PubChem (CID 10264713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).