(2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate

C12H20O5 — CID 85393620

IUPAC(2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate
SMILESCOC1OC(C)C(=O)CC1OC(=O)C(C)(C)C
InChIInChI=1S/C12H20O5/c1-7-8(13)6-9(10(15-5)16-7)17-11(14)12(2,3)4/h7,9-10H,6H2,1-5H3
InChIKeyDADGKORUCAGZHS-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.29
Rot. Bonds2

About (2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate

(2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate (PubChem CID 85393620) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate
PubChem CID85393620
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name(2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate
SMILESCOC1OC(C)C(=O)CC1OC(=O)C(C)(C)C
InChIInChI=1S/C12H20O5/c1-7-8(13)6-9(10(15-5)16-7)17-11(14)12(2,3)4/h7,9-10H,6H2,1-5H3
InChIKeyDADGKORUCAGZHS-UHFFFAOYSA-N
XLogP1.29
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate (CID 85393620) is (2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate is COC1OC(C)C(=O)CC1OC(=O)C(C)(C)C.
What is the InChIKey of (2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate?
The InChIKey is DADGKORUCAGZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-7-8(13)6-9(10(15-5)16-7)17-11(14)12(2,3)4/h7,9-10H,6H2,1-5H3.
What are the key properties of (2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate?
(2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate has a molecular weight of 244.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-methyl-5-oxooxan-3-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 85393620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).