4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid

C10H18O4 — CID 56622042

IUPAC4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid
SMILESCOCCOC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18O4/c1-13-6-7-14-9-4-2-8(3-5-9)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyCEMIQXJQJBRGKY-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.29
Rot. Bonds5

About 4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid

4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid (PubChem CID 56622042) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid
PubChem CID56622042
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid
SMILESCOCCOC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H18O4/c1-13-6-7-14-9-4-2-8(3-5-9)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyCEMIQXJQJBRGKY-UHFFFAOYSA-N
XLogP1.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid (CID 56622042) is 4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid is COCCOC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid?
The InChIKey is CEMIQXJQJBRGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-13-6-7-14-9-4-2-8(3-5-9)10(11)12/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid?
4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 56622042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).