dimethyl 2-(oxan-2-yloxy)propanedioate

C10H16O6 — CID 19075801

IUPACdimethyl 2-(oxan-2-yloxy)propanedioate
SMILESCOC(=O)C(OC1CCCCO1)C(=O)OC
InChIInChI=1S/C10H16O6/c1-13-9(11)8(10(12)14-2)16-7-5-3-4-6-15-7/h7-8H,3-6H2,1-2H3
InChIKeyIQJSGTWOQATICV-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.24
Rot. Bonds4

About dimethyl 2-(oxan-2-yloxy)propanedioate

dimethyl 2-(oxan-2-yloxy)propanedioate (PubChem CID 19075801) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is dimethyl 2-(oxan-2-yloxy)propanedioate.

Molecular Properties

Compound Namedimethyl 2-(oxan-2-yloxy)propanedioate
PubChem CID19075801
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namedimethyl 2-(oxan-2-yloxy)propanedioate
SMILESCOC(=O)C(OC1CCCCO1)C(=O)OC
InChIInChI=1S/C10H16O6/c1-13-9(11)8(10(12)14-2)16-7-5-3-4-6-15-7/h7-8H,3-6H2,1-2H3
InChIKeyIQJSGTWOQATICV-UHFFFAOYSA-N
XLogP0.24
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(oxan-2-yloxy)propanedioate?
The IUPAC name of dimethyl 2-(oxan-2-yloxy)propanedioate (CID 19075801) is dimethyl 2-(oxan-2-yloxy)propanedioate.
What is the SMILES notation for dimethyl 2-(oxan-2-yloxy)propanedioate?
The canonical SMILES for dimethyl 2-(oxan-2-yloxy)propanedioate is COC(=O)C(OC1CCCCO1)C(=O)OC.
What is the InChIKey of dimethyl 2-(oxan-2-yloxy)propanedioate?
The InChIKey is IQJSGTWOQATICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-13-9(11)8(10(12)14-2)16-7-5-3-4-6-15-7/h7-8H,3-6H2,1-2H3.
What are the key properties of dimethyl 2-(oxan-2-yloxy)propanedioate?
dimethyl 2-(oxan-2-yloxy)propanedioate has a molecular weight of 232.23 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(oxan-2-yloxy)propanedioate is sourced from PubChem (CID 19075801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).