ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate

C12H22O3Si — CID 134969002

IUPACethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate
SMILESCCOC(=O)[C@@H](C)[Si](C)(C)C1=CCCCO1
InChIInChI=1S/C12H22O3Si/c1-5-14-12(13)10(2)16(3,4)11-8-6-7-9-15-11/h8,10H,5-7,9H2,1-4H3/t10-/m1/s1
InChIKeyMALWACIYNZJPIT-SNVBAGLBSA-N
MW242.39 g/mol
LogP2.88
Rot. Bonds4

About ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate

ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate (PubChem CID 134969002) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate
PubChem CID134969002
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Nameethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate
SMILESCCOC(=O)[C@@H](C)[Si](C)(C)C1=CCCCO1
InChIInChI=1S/C12H22O3Si/c1-5-14-12(13)10(2)16(3,4)11-8-6-7-9-15-11/h8,10H,5-7,9H2,1-4H3/t10-/m1/s1
InChIKeyMALWACIYNZJPIT-SNVBAGLBSA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate?
The IUPAC name of ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate (CID 134969002) is ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate.
What is the SMILES notation for ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate?
The canonical SMILES for ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate is CCOC(=O)[C@@H](C)[Si](C)(C)C1=CCCCO1.
What is the InChIKey of ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate?
The InChIKey is MALWACIYNZJPIT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22O3Si/c1-5-14-12(13)10(2)16(3,4)11-8-6-7-9-15-11/h8,10H,5-7,9H2,1-4H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate?
ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate has a molecular weight of 242.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[3,4-dihydro-2H-pyran-6-yl(dimethyl)silyl]propanoate is sourced from PubChem (CID 134969002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).