4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid

C12H20O3 — CID 91636367

IUPAC4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCC2CCC2)CC1
InChIInChI=1S/C12H20O3/c13-12(14)10-4-6-11(7-5-10)15-8-9-2-1-3-9/h9-11H,1-8H2,(H,13,14)
InChIKeyPGWLCFZUEVFJMX-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.45
Rot. Bonds4

About 4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid

4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid (PubChem CID 91636367) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid
PubChem CID91636367
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCC2CCC2)CC1
InChIInChI=1S/C12H20O3/c13-12(14)10-4-6-11(7-5-10)15-8-9-2-1-3-9/h9-11H,1-8H2,(H,13,14)
InChIKeyPGWLCFZUEVFJMX-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid (CID 91636367) is 4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(OCC2CCC2)CC1.
What is the InChIKey of 4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid?
The InChIKey is PGWLCFZUEVFJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-12(14)10-4-6-11(7-5-10)15-8-9-2-1-3-9/h9-11H,1-8H2,(H,13,14).
What are the key properties of 4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid?
4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 91636367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).