2-(2-methylpropoxy)ethyl cyclohexanecarboxylate

C13H24O3 — CID 59197441

IUPAC2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
SMILESCC(C)COCCOC(=O)C1CCCCC1
InChIInChI=1S/C13H24O3/c1-11(2)10-15-8-9-16-13(14)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKeyAYHDDQKSVBDHTE-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.78
Rot. Bonds6

About 2-(2-methylpropoxy)ethyl cyclohexanecarboxylate

2-(2-methylpropoxy)ethyl cyclohexanecarboxylate (PubChem CID 59197441) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
PubChem CID59197441
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
SMILESCC(C)COCCOC(=O)C1CCCCC1
InChIInChI=1S/C13H24O3/c1-11(2)10-15-8-9-16-13(14)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3
InChIKeyAYHDDQKSVBDHTE-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone
CID 106448351
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
2-(1-sulfanylethoxy)ethyl cyclohexanecarboxylate
CID 147800283
2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate
CID 118048088
4-methylpentyl cyclopentanecarboxylate
CID 566242
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
2-methylpropyl cyclopropanecarboxylate
CID 549520
1-cyclohexyl-2-(2-methylpropoxy)ethanone
CID 104751697
4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate
CID 123967340
2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethyl cyclohexanecarboxylate
CID 70391446
2-methoxyethoxymethyl cyclohexanecarboxylate
CID 11287380
4-chloropentyl cyclohexanecarboxylate
CID 132602068

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl cyclohexanecarboxylate?
The IUPAC name of 2-(2-methylpropoxy)ethyl cyclohexanecarboxylate (CID 59197441) is 2-(2-methylpropoxy)ethyl cyclohexanecarboxylate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl cyclohexanecarboxylate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl cyclohexanecarboxylate is CC(C)COCCOC(=O)C1CCCCC1.
What is the InChIKey of 2-(2-methylpropoxy)ethyl cyclohexanecarboxylate?
The InChIKey is AYHDDQKSVBDHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-11(2)10-15-8-9-16-13(14)12-6-4-3-5-7-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)ethyl cyclohexanecarboxylate?
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate has a molecular weight of 228.33 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl cyclohexanecarboxylate is sourced from PubChem (CID 59197441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).