2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate

C14H22O4 — CID 20682595

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate
SMILESC=C(C)C(=O)OCCOC(=O)C1CCCCC1C
InChIInChI=1S/C14H22O4/c1-10(2)13(15)17-8-9-18-14(16)12-7-5-4-6-11(12)3/h11-12H,1,4-9H2,2-3H3
InChIKeyXUMIGPQANMLKEC-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.48
Rot. Bonds5

About 2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate

2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate (PubChem CID 20682595) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate
PubChem CID20682595
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate
SMILESC=C(C)C(=O)OCCOC(=O)C1CCCCC1C
InChIInChI=1S/C14H22O4/c1-10(2)13(15)17-8-9-18-14(16)12-7-5-4-6-11(12)3/h11-12H,1,4-9H2,2-3H3
InChIKeyXUMIGPQANMLKEC-UHFFFAOYSA-N
XLogP2.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate 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-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate (CID 20682595) is 2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate is C=C(C)C(=O)OCCOC(=O)C1CCCCC1C.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate?
The InChIKey is XUMIGPQANMLKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-10(2)13(15)17-8-9-18-14(16)12-7-5-4-6-11(12)3/h11-12H,1,4-9H2,2-3H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate?
2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 20682595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).