2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate

C11H18O4 — CID 11117397

IUPAC2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate
SMILESCCOC(=O)C1CCCCC1C(=O)OC
InChIInChI=1S/C11H18O4/c1-3-15-11(13)9-7-5-4-6-8(9)10(12)14-2/h8-9H,3-7H2,1-2H3
InChIKeyKTQLZENVPSGMMQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.53
Rot. Bonds3

About 2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate

2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate (PubChem CID 11117397) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate
PubChem CID11117397
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate
SMILESCCOC(=O)C1CCCCC1C(=O)OC
InChIInChI=1S/C11H18O4/c1-3-15-11(13)9-7-5-4-6-8(9)10(12)14-2/h8-9H,3-7H2,1-2H3
InChIKeyKTQLZENVPSGMMQ-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-O-ethyl 1-O-methyl cyclohexane-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 2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate?
The IUPAC name of 2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate (CID 11117397) is 2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate?
The canonical SMILES for 2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate is CCOC(=O)C1CCCCC1C(=O)OC.
What is the InChIKey of 2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate?
The InChIKey is KTQLZENVPSGMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-15-11(13)9-7-5-4-6-8(9)10(12)14-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate?
2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 1-O-methyl cyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 11117397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).