dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate

C10H14O5 — CID 66509186

IUPACdimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate
SMILESCOC(=O)/C=C(\C(=O)OC)C1CCCO1
InChIInChI=1S/C10H14O5/c1-13-9(11)6-7(10(12)14-2)8-4-3-5-15-8/h6,8H,3-5H2,1-2H3/b7-6-
InChIKeyUFYKIMSOBCHXAD-SREVYHEPSA-N
MW214.22 g/mol
LogP0.44
Rot. Bonds3

About dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate

dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate (PubChem CID 66509186) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate.

Molecular Properties

Compound Namedimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate
PubChem CID66509186
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Namedimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate
SMILESCOC(=O)/C=C(\C(=O)OC)C1CCCO1
InChIInChI=1S/C10H14O5/c1-13-9(11)6-7(10(12)14-2)8-4-3-5-15-8/h6,8H,3-5H2,1-2H3/b7-6-
InChIKeyUFYKIMSOBCHXAD-SREVYHEPSA-N
XLogP0.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate?
The IUPAC name of dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate (CID 66509186) is dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate.
What is the SMILES notation for dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate?
The canonical SMILES for dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate is COC(=O)/C=C(\C(=O)OC)C1CCCO1.
What is the InChIKey of dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate?
The InChIKey is UFYKIMSOBCHXAD-SREVYHEPSA-N. The full InChI is InChI=1S/C10H14O5/c1-13-9(11)6-7(10(12)14-2)8-4-3-5-15-8/h6,8H,3-5H2,1-2H3/b7-6-.
What are the key properties of dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate?
dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate has a molecular weight of 214.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate is sourced from PubChem (CID 66509186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).