1-(2-methoxyethyl)cyclohexane-1-carboxylic acid

C10H18O3 — CID 62740777

IUPAC1-(2-methoxyethyl)cyclohexane-1-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H18O3/c1-13-8-7-10(9(11)12)5-3-2-4-6-10/h2-8H2,1H3,(H,11,12)
InChIKeyKFHOGBPKUCFXMH-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.06
Rot. Bonds4

About 1-(2-methoxyethyl)cyclohexane-1-carboxylic acid

1-(2-methoxyethyl)cyclohexane-1-carboxylic acid (PubChem CID 62740777) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyethyl)cyclohexane-1-carboxylic acid
PubChem CID62740777
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(2-methoxyethyl)cyclohexane-1-carboxylic acid
SMILESCOCCC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H18O3/c1-13-8-7-10(9(11)12)5-3-2-4-6-10/h2-8H2,1H3,(H,11,12)
InChIKeyKFHOGBPKUCFXMH-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxyethyl)cyclohexane-1-carboxylic acid (CID 62740777) is 1-(2-methoxyethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxyethyl)cyclohexane-1-carboxylic acid is COCCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(2-methoxyethyl)cyclohexane-1-carboxylic acid?
The InChIKey is KFHOGBPKUCFXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-13-8-7-10(9(11)12)5-3-2-4-6-10/h2-8H2,1H3,(H,11,12).
What are the key properties of 1-(2-methoxyethyl)cyclohexane-1-carboxylic acid?
1-(2-methoxyethyl)cyclohexane-1-carboxylic 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 1-(2-methoxyethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62740777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).