4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid

C15H28O4 — CID 103184874

IUPAC4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(CCOCCCOC)(C(=O)O)CC1
InChIInChI=1S/C15H28O4/c1-3-13-5-7-15(8-6-13,14(16)17)9-12-19-11-4-10-18-2/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyCMQCOYHUTIVQQY-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.10
Rot. Bonds9

About 4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid

4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid (PubChem CID 103184874) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid
PubChem CID103184874
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(CCOCCCOC)(C(=O)O)CC1
InChIInChI=1S/C15H28O4/c1-3-13-5-7-15(8-6-13,14(16)17)9-12-19-11-4-10-18-2/h13H,3-12H2,1-2H3,(H,16,17)
InChIKeyCMQCOYHUTIVQQY-UHFFFAOYSA-N
XLogP3.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.10
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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Related Compounds

1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465
3-ethyl-1-(2-methoxyethyl)cyclopentane-1-carboxylic acid
CID 65409459
4-ethyl-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid
CID 65395156
1-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexane-1-carboxylic acid
CID 103184870
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone
CID 106797314
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
CID 65408887
4-ethyl-1-(2-methylsulfonylethyl)cyclohexane-1-carboxylic acid
CID 65394740
1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
CID 155771087
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 113427264

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid (CID 103184874) is 4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid is CCC1CCC(CCOCCCOC)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid?
The InChIKey is CMQCOYHUTIVQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-3-13-5-7-15(8-6-13,14(16)17)9-12-19-11-4-10-18-2/h13H,3-12H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid?
4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 272.38 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103184874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).