2-cyclohexyl-2-ethoxyacetic acid

C10H18O3 — CID 70291856

IUPAC2-cyclohexyl-2-ethoxyacetic acid
SMILESCCOC(C(=O)O)C1CCCCC1
InChIInChI=1S/C10H18O3/c1-2-13-9(10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyQOLYWZBRASBMKV-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.06
Rot. Bonds4

About 2-cyclohexyl-2-ethoxyacetic acid

2-cyclohexyl-2-ethoxyacetic acid (PubChem CID 70291856) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethoxyacetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-ethoxyacetic acid
PubChem CID70291856
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-cyclohexyl-2-ethoxyacetic acid
SMILESCCOC(C(=O)O)C1CCCCC1
InChIInChI=1S/C10H18O3/c1-2-13-9(10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyQOLYWZBRASBMKV-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxytetradecanoic acid
CID 611552
Isodecyl Hydroxystearate
CID 57376812
Methyl 1-hydroxycyclohexanecarboxylate
CID 241949
2-Cyclohexyl-2-hydroxyacetic acid
CID 271989
2-Methoxydecanoic acid
CID 549854
3-Ethyl-2-hydroxyheptanoic acid
CID 44788
(2S)-3-cyclohexyl-2-hydroxypropanoic acid
CID 12756210
(2R)-2-cyclohexyl-2-hydroxyacetic acid
CID 819914
Ethylcyclohexyl(oxo)acetate
CID 11041407
4-Cyclohexylbutyl 2-hydroxybutanoate
CID 71453719
3-Cyclohexylpropyl 2-hydroxybutanoate
CID 71459088
5-Cyclohexylpentyl 2-hydroxybutanoate
CID 71460899

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-ethoxyacetic acid?
The IUPAC name of 2-cyclohexyl-2-ethoxyacetic acid (CID 70291856) is 2-cyclohexyl-2-ethoxyacetic acid.
What is the SMILES notation for 2-cyclohexyl-2-ethoxyacetic acid?
The canonical SMILES for 2-cyclohexyl-2-ethoxyacetic acid is CCOC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-ethoxyacetic acid?
The InChIKey is QOLYWZBRASBMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-13-9(10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-cyclohexyl-2-ethoxyacetic acid?
2-cyclohexyl-2-ethoxyacetic acid has a molecular weight of 186.25 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethoxyacetic acid is sourced from PubChem (CID 70291856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).