dimethyl 2-(1,4-dioxan-2-yl)butanedioate

C10H16O6 — CID 102169805

IUPACdimethyl 2-(1,4-dioxan-2-yl)butanedioate
SMILESCOC(=O)CC(C(=O)OC)C1COCCO1
InChIInChI=1S/C10H16O6/c1-13-9(11)5-7(10(12)14-2)8-6-15-3-4-16-8/h7-8H,3-6H2,1-2H3
InChIKeyRGDXKZWJCCEUIK-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.25
Rot. Bonds4

About dimethyl 2-(1,4-dioxan-2-yl)butanedioate

dimethyl 2-(1,4-dioxan-2-yl)butanedioate (PubChem CID 102169805) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is dimethyl 2-(1,4-dioxan-2-yl)butanedioate.

Molecular Properties

Compound Namedimethyl 2-(1,4-dioxan-2-yl)butanedioate
PubChem CID102169805
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namedimethyl 2-(1,4-dioxan-2-yl)butanedioate
SMILESCOC(=O)CC(C(=O)OC)C1COCCO1
InChIInChI=1S/C10H16O6/c1-13-9(11)5-7(10(12)14-2)8-6-15-3-4-16-8/h7-8H,3-6H2,1-2H3
InChIKeyRGDXKZWJCCEUIK-UHFFFAOYSA-N
XLogP-0.25
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 ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 2-(1,4-dioxan-2-yl)butanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dimethyl tetrahydrofurandicarboxylate
CID 123744712
Dimethyl 2-(2,3-diacetyloxypropyl)propanedioate
CID 11471808
Methyl 3-(1,4-dioxan-2-yl)butanoate
CID 71834960
Ethyl 2-(1,4-dioxan-2-yl)-3-oxobutanoate
CID 134858163
Methyl 3-[2-(2-methoxy-2-oxoethyl)-1,4-dioxan-2-yl]propanoate
CID 138977838
Ethyl 5-(butanoyloxymethyl)-2-oxooxolane-3-carboxylate
CID 162397066
Methyl 5-(butoxymethyl)-2-oxooxolane-3-carboxylate
CID 12706674
Ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate
CID 15853059
Ethyl (8-oxo-1,4,7-trioxacycloundecan-9-yl)acetate
CID 21629404
Trimethyl 1-methoxypropane-1,2,3-tricarboxylate
CID 11139470
2-(1,4-Dioxan-2-yl)butanedioic acid
CID 12246393
Diethyl 2-(1,4,7,10-tetraoxacyclododec-2-ylmethyl)propanedioate
CID 19822390

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(1,4-dioxan-2-yl)butanedioate?
The IUPAC name of dimethyl 2-(1,4-dioxan-2-yl)butanedioate (CID 102169805) is dimethyl 2-(1,4-dioxan-2-yl)butanedioate.
What is the SMILES notation for dimethyl 2-(1,4-dioxan-2-yl)butanedioate?
The canonical SMILES for dimethyl 2-(1,4-dioxan-2-yl)butanedioate is COC(=O)CC(C(=O)OC)C1COCCO1.
What is the InChIKey of dimethyl 2-(1,4-dioxan-2-yl)butanedioate?
The InChIKey is RGDXKZWJCCEUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-13-9(11)5-7(10(12)14-2)8-6-15-3-4-16-8/h7-8H,3-6H2,1-2H3.
What are the key properties of dimethyl 2-(1,4-dioxan-2-yl)butanedioate?
dimethyl 2-(1,4-dioxan-2-yl)butanedioate has a molecular weight of 232.23 g/mol, XLogP of -0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(1,4-dioxan-2-yl)butanedioate is sourced from PubChem (CID 102169805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).