dimethyl 2-methoxycarbonyloxypropanedioate

C7H10O7 — CID 88550478

IUPACdimethyl 2-methoxycarbonyloxypropanedioate
SMILESCOC(=O)OC(C(=O)OC)C(=O)OC
InChIInChI=1S/C7H10O7/c1-11-5(8)4(6(9)12-2)14-7(10)13-3/h4H,1-3H3
InChIKeyLIYJYCJCBMGJCQ-UHFFFAOYSA-N
MW206.15 g/mol
LogP-0.52
Rot. Bonds3

About dimethyl 2-methoxycarbonyloxypropanedioate

dimethyl 2-methoxycarbonyloxypropanedioate (PubChem CID 88550478) has the molecular formula C7H10O7 and a molecular weight of 206.15 g/mol. Its IUPAC name is dimethyl 2-methoxycarbonyloxypropanedioate.

Molecular Properties

Compound Namedimethyl 2-methoxycarbonyloxypropanedioate
PubChem CID88550478
Molecular FormulaC7H10O7
Molecular Weight206.15 g/mol
Exact Mass206.04
IUPAC Namedimethyl 2-methoxycarbonyloxypropanedioate
SMILESCOC(=O)OC(C(=O)OC)C(=O)OC
InChIInChI=1S/C7H10O7/c1-11-5(8)4(6(9)12-2)14-7(10)13-3/h4H,1-3H3
InChIKeyLIYJYCJCBMGJCQ-UHFFFAOYSA-N
XLogP-0.52
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl 2-methoxycarbonyloxypropanedioate 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

CID 78718
CID 78718
CID 853166
CID 853166
CID 853165
CID 853165
CID 23678351
CID 23678351
CID 79603
CID 79603
CID 12347879
CID 12347879
CID 22999080
CID 22999080
CID 539745
CID 539745
CID 575727
CID 575727
CID 223941
CID 223941
CID 85871046
CID 85871046
CID 12196926
CID 12196926

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methoxycarbonyloxypropanedioate?
The IUPAC name of dimethyl 2-methoxycarbonyloxypropanedioate (CID 88550478) is dimethyl 2-methoxycarbonyloxypropanedioate.
What is the SMILES notation for dimethyl 2-methoxycarbonyloxypropanedioate?
The canonical SMILES for dimethyl 2-methoxycarbonyloxypropanedioate is COC(=O)OC(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-methoxycarbonyloxypropanedioate?
The InChIKey is LIYJYCJCBMGJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O7/c1-11-5(8)4(6(9)12-2)14-7(10)13-3/h4H,1-3H3.
What are the key properties of dimethyl 2-methoxycarbonyloxypropanedioate?
dimethyl 2-methoxycarbonyloxypropanedioate has a molecular weight of 206.15 g/mol, XLogP of -0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methoxycarbonyloxypropanedioate is sourced from PubChem (CID 88550478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).