4-ethyl-2-propoxycyclohexane-1-carboxylic acid

C12H22O3 — CID 114988153

IUPAC4-ethyl-2-propoxycyclohexane-1-carboxylic acid
SMILESCCCOC1CC(CC)CCC1C(=O)O
InChIInChI=1S/C12H22O3/c1-3-7-15-11-8-9(4-2)5-6-10(11)12(13)14/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyZQCCCDINMOUTKI-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.69
Rot. Bonds5

About 4-ethyl-2-propoxycyclohexane-1-carboxylic acid

4-ethyl-2-propoxycyclohexane-1-carboxylic acid (PubChem CID 114988153) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-ethyl-2-propoxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-propoxycyclohexane-1-carboxylic acid
PubChem CID114988153
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-ethyl-2-propoxycyclohexane-1-carboxylic acid
SMILESCCCOC1CC(CC)CCC1C(=O)O
InChIInChI=1S/C12H22O3/c1-3-7-15-11-8-9(4-2)5-6-10(11)12(13)14/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyZQCCCDINMOUTKI-UHFFFAOYSA-N
XLogP2.69
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(propoxymethyl)cyclohexane-1-carboxylic acid
CID 81021215
2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid
CID 114991724
trans-(1R,2R)-2-ethoxycyclopropane-1-carboxylic acid
CID 39872362
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 103540460
4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 63066878
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796
dimethyl 4-ethylcyclohexane-1,2-dicarboxylate
CID 123726982
2-(cyclohexylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81021047
2-propoxycyclopropan-1-ol
CID 174614862
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
acetic acid;ethylcyclopropane
CID 175213909
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-propoxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-propoxycyclohexane-1-carboxylic acid (CID 114988153) is 4-ethyl-2-propoxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-propoxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-propoxycyclohexane-1-carboxylic acid is CCCOC1CC(CC)CCC1C(=O)O.
What is the InChIKey of 4-ethyl-2-propoxycyclohexane-1-carboxylic acid?
The InChIKey is ZQCCCDINMOUTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-7-15-11-8-9(4-2)5-6-10(11)12(13)14/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-2-propoxycyclohexane-1-carboxylic acid?
4-ethyl-2-propoxycyclohexane-1-carboxylic acid has a molecular weight of 214.30 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-propoxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 114988153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).