2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate

C14H24O4 — CID 118048088

IUPAC2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate
SMILESCCC(C)C(=O)OCCOC(=O)C1CCCCC1
InChIInChI=1S/C14H24O4/c1-3-11(2)13(15)17-9-10-18-14(16)12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyGLEAYUVWTGQTSA-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.70
Rot. Bonds6

About 2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate

2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate (PubChem CID 118048088) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate
PubChem CID118048088
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate
SMILESCCC(C)C(=O)OCCOC(=O)C1CCCCC1
InChIInChI=1S/C14H24O4/c1-3-11(2)13(15)17-9-10-18-14(16)12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3
InChIKeyGLEAYUVWTGQTSA-UHFFFAOYSA-N
XLogP2.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-sulfanylethoxy)ethyl cyclohexanecarboxylate
CID 147800283
4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate
CID 123967340
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
1-O-[2-(2-methylbutanoyloxy)ethyl] 2-O-[2-tris(trimethylsilyl)silylethyl] cyclohexane-1,2-dicarboxylate
CID 59881169
2-(cyclohexanecarbonyloxymethyl)butyl cyclohexanecarboxylate
CID 71034166
4-methylpentyl cyclopentanecarboxylate
CID 566242
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
4-chloropentyl cyclohexanecarboxylate
CID 132602068
lithium;hydride;pentyl cyclohexanecarboxylate
CID 173095553
2-piperidin-1-ylethyl 2-methylbutanoate
CID 20697106
2-aminoethyl cyclohexanecarboxylate;hydrochloride
CID 67519694

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate?
The IUPAC name of 2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate (CID 118048088) is 2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate.
What is the SMILES notation for 2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate?
The canonical SMILES for 2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate is CCC(C)C(=O)OCCOC(=O)C1CCCCC1.
What is the InChIKey of 2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate?
The InChIKey is GLEAYUVWTGQTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-3-11(2)13(15)17-9-10-18-14(16)12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate?
2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate has a molecular weight of 256.34 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate is sourced from PubChem (CID 118048088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).