(2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate

C11H18O5 — CID 22607864

IUPAC(2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate
SMILESCOC(=O)COC(=O)C1CCCC(C)(C)O1
InChIInChI=1S/C11H18O5/c1-11(2)6-4-5-8(16-11)10(13)15-7-9(12)14-3/h8H,4-7H2,1-3H3
InChIKeyNMACXPDPRGTLED-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.05
Rot. Bonds3

About (2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate

(2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate (PubChem CID 22607864) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate
PubChem CID22607864
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate
SMILESCOC(=O)COC(=O)C1CCCC(C)(C)O1
InChIInChI=1S/C11H18O5/c1-11(2)6-4-5-8(16-11)10(13)15-7-9(12)14-3/h8H,4-7H2,1-3H3
InChIKeyNMACXPDPRGTLED-UHFFFAOYSA-N
XLogP1.05
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate?
The IUPAC name of (2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate (CID 22607864) is (2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate is COC(=O)COC(=O)C1CCCC(C)(C)O1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate?
The InChIKey is NMACXPDPRGTLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-11(2)6-4-5-8(16-11)10(13)15-7-9(12)14-3/h8H,4-7H2,1-3H3.
What are the key properties of (2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate?
(2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 6,6-dimethyloxane-2-carboxylate is sourced from PubChem (CID 22607864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).