ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate

C11H20O4 — CID 134986624

IUPACethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate
SMILESCCOC(=O)[C@H](CC)C1COC(C)OC1
InChIInChI=1S/C11H20O4/c1-4-10(11(12)13-5-2)9-6-14-8(3)15-7-9/h8-10H,4-7H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyVWFAJWWFXKXNDL-UDNWOFFPSA-N
MW216.28 g/mol
LogP1.58
Rot. Bonds4

About ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate

ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate (PubChem CID 134986624) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate
PubChem CID134986624
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nameethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate
SMILESCCOC(=O)[C@H](CC)C1COC(C)OC1
InChIInChI=1S/C11H20O4/c1-4-10(11(12)13-5-2)9-6-14-8(3)15-7-9/h8-10H,4-7H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyVWFAJWWFXKXNDL-UDNWOFFPSA-N
XLogP1.58
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate?
The IUPAC name of ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate (CID 134986624) is ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate.
What is the SMILES notation for ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate?
The canonical SMILES for ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate is CCOC(=O)[C@H](CC)C1COC(C)OC1.
What is the InChIKey of ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate?
The InChIKey is VWFAJWWFXKXNDL-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-10(11(12)13-5-2)9-6-14-8(3)15-7-9/h8-10H,4-7H2,1-3H3/t8?,9?,10-/m1/s1.
What are the key properties of ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate?
ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate has a molecular weight of 216.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2-methyl-1,3-dioxan-5-yl)butanoate is sourced from PubChem (CID 134986624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).