1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone

C14H26O3 — CID 106448351

IUPAC1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone
SMILESCC(C)COCCOCC(=O)C1CCCCC1
InChIInChI=1S/C14H26O3/c1-12(2)10-16-8-9-17-11-14(15)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyJVQFQJBUQXTDJM-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.83
Rot. Bonds8

About 1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone

1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone (PubChem CID 106448351) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone
PubChem CID106448351
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone
SMILESCC(C)COCCOCC(=O)C1CCCCC1
InChIInChI=1S/C14H26O3/c1-12(2)10-16-8-9-17-11-14(15)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3
InChIKeyJVQFQJBUQXTDJM-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.83
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-methylpropoxy)ethanone
CID 104751697
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441
1-cyclopentyl-2-[2-(3-methoxypropoxy)ethoxy]ethanone
CID 103178926
1-cyclopentyl-2-octoxyethanone
CID 104751834
1-cyclopentyl-2-propan-2-yloxyethanone
CID 79567551
1-cyclohexyl-3-methylbutan-1-one
CID 4144247
N-[1-(2-methylpropoxy)propan-2-yl]cyclopentanecarboxamide
CID 56823316
1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone
CID 11471281
2-cyclopentyl-4-(2-methylpropoxy)butanoic acid
CID 106454943
2-(2-aminoethoxy)-1-cyclopropylethanone
CID 116591061
1-cyclopropyl-N-methyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447297
1-[2-(2-methylpropoxy)ethoxy]pentan-2-one
CID 106448350

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone?
The IUPAC name of 1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone (CID 106448351) is 1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone is CC(C)COCCOCC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone?
The InChIKey is JVQFQJBUQXTDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-12(2)10-16-8-9-17-11-14(15)13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone?
1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone has a molecular weight of 242.36 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(2-methylpropoxy)ethoxy]ethanone is sourced from PubChem (CID 106448351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).