ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate

C11H20O5S — CID 59267991

IUPACethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)C[C@@H]1CCOC1
InChIInChI=1S/C11H20O5S/c1-4-16-10(12)11(2,3)17(13,14)8-9-5-6-15-7-9/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyDNWMYVADGAHONS-SECBINFHSA-N
MW264.34 g/mol
LogP0.78
Rot. Bonds5

About ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate

ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate (PubChem CID 59267991) has the molecular formula C11H20O5S and a molecular weight of 264.34 g/mol. Its IUPAC name is ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate
PubChem CID59267991
Molecular FormulaC11H20O5S
Molecular Weight264.34 g/mol
Exact Mass264.10
IUPAC Nameethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)C[C@@H]1CCOC1
InChIInChI=1S/C11H20O5S/c1-4-16-10(12)11(2,3)17(13,14)8-9-5-6-15-7-9/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyDNWMYVADGAHONS-SECBINFHSA-N
XLogP0.78
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate?
The IUPAC name of ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate (CID 59267991) is ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate is CCOC(=O)C(C)(C)S(=O)(=O)C[C@@H]1CCOC1.
What is the InChIKey of ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate?
The InChIKey is DNWMYVADGAHONS-SECBINFHSA-N. The full InChI is InChI=1S/C11H20O5S/c1-4-16-10(12)11(2,3)17(13,14)8-9-5-6-15-7-9/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate?
ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate has a molecular weight of 264.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[[(3R)-oxolan-3-yl]methylsulfonyl]propanoate is sourced from PubChem (CID 59267991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).