dimethyl cyclohex-2-ene-1,2-dicarboxylate

C10H14O4 — CID 13247408

IUPACdimethyl cyclohex-2-ene-1,2-dicarboxylate
SMILESCOC(=O)C1=CCCCC1C(=O)OC
InChIInChI=1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h5,8H,3-4,6H2,1-2H3
InChIKeyHFNQSVDOAVIZIS-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds2

About dimethyl cyclohex-2-ene-1,2-dicarboxylate

dimethyl cyclohex-2-ene-1,2-dicarboxylate (PubChem CID 13247408) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is dimethyl cyclohex-2-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl cyclohex-2-ene-1,2-dicarboxylate
PubChem CID13247408
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namedimethyl cyclohex-2-ene-1,2-dicarboxylate
SMILESCOC(=O)C1=CCCCC1C(=O)OC
InChIInChI=1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h5,8H,3-4,6H2,1-2H3
InChIKeyHFNQSVDOAVIZIS-UHFFFAOYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl cyclohex-2-ene-1,2-dicarboxylate 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 cyclohex-2-ene-1,2-dicarboxylate?
The IUPAC name of dimethyl cyclohex-2-ene-1,2-dicarboxylate (CID 13247408) is dimethyl cyclohex-2-ene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl cyclohex-2-ene-1,2-dicarboxylate?
The canonical SMILES for dimethyl cyclohex-2-ene-1,2-dicarboxylate is COC(=O)C1=CCCCC1C(=O)OC.
What is the InChIKey of dimethyl cyclohex-2-ene-1,2-dicarboxylate?
The InChIKey is HFNQSVDOAVIZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h5,8H,3-4,6H2,1-2H3.
What are the key properties of dimethyl cyclohex-2-ene-1,2-dicarboxylate?
dimethyl cyclohex-2-ene-1,2-dicarboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl cyclohex-2-ene-1,2-dicarboxylate is sourced from PubChem (CID 13247408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).