[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate

C15H26O5 — CID 67515459

IUPAC[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)OC(C)C1CCCC(C)(C)C1
InChIInChI=1S/C15H26O5/c1-11(12-6-5-7-15(2,3)8-12)20-14(17)10-19-13(16)9-18-4/h11-12H,5-10H2,1-4H3
InChIKeyGQSODOYTNTXNHP-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.32
Rot. Bonds6

About [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate

[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate (PubChem CID 67515459) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate
PubChem CID67515459
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)OC(C)C1CCCC(C)(C)C1
InChIInChI=1S/C15H26O5/c1-11(12-6-5-7-15(2,3)8-12)20-14(17)10-19-13(16)9-18-4/h11-12H,5-10H2,1-4H3
InChIKeyGQSODOYTNTXNHP-UHFFFAOYSA-N
XLogP2.32
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate 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-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate (CID 67515459) is [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate is COCC(=O)OCC(=O)OC(C)C1CCCC(C)(C)C1.
What is the InChIKey of [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate?
The InChIKey is GQSODOYTNTXNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-11(12-6-5-7-15(2,3)8-12)20-14(17)10-19-13(16)9-18-4/h11-12H,5-10H2,1-4H3.
What are the key properties of [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate?
[2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate has a molecular weight of 286.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-oxoethyl] 2-methoxyacetate is sourced from PubChem (CID 67515459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).