4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid

C14H26O3 — CID 65395156

IUPAC4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(CCOC(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H26O3/c1-4-12-5-7-14(8-6-12,13(15)16)9-10-17-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyFIJGLQJGCOMLSK-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.47
Rot. Bonds6

About 4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid

4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid (PubChem CID 65395156) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid
PubChem CID65395156
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(CCOC(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H26O3/c1-4-12-5-7-14(8-6-12,13(15)16)9-10-17-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyFIJGLQJGCOMLSK-UHFFFAOYSA-N
XLogP3.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid
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4-ethyl-1-(2-methylsulfonylethyl)cyclohexane-1-carboxylic acid
CID 65394740
3-ethyl-1-[2-(2-methylpropoxy)ethyl]cyclohexane-1-carboxylic acid
CID 106459363
1-pentyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65425689
2-(2-propan-2-yloxyethyl)-1,3-dihydroindene-2-carboxylic acid
CID 65409494
1-heptyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 65423946
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594392
3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
CID 65408887
4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
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1-(3-butoxy-2-hydroxypropyl)-3-ethylcyclopentane-1-carboxylic acid
CID 107264454

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid (CID 65395156) is 4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid is CCC1CCC(CCOC(C)C)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid?
The InChIKey is FIJGLQJGCOMLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-4-12-5-7-14(8-6-12,13(15)16)9-10-17-11(2)3/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid?
4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid has a molecular weight of 242.36 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65395156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).