6-cyclopentyloxane-2-carboxylic acid

C11H18O3 — CID 130585212

IUPAC6-cyclopentyloxane-2-carboxylic acid
SMILESO=C(O)C1CCCC(C2CCCC2)O1
InChIInChI=1S/C11H18O3/c12-11(13)10-7-3-6-9(14-10)8-4-1-2-5-8/h8-10H,1-7H2,(H,12,13)
InChIKeySFZHLQACRYMSRW-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.20
Rot. Bonds2

About 6-cyclopentyloxane-2-carboxylic acid

6-cyclopentyloxane-2-carboxylic acid (PubChem CID 130585212) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 6-cyclopentyloxane-2-carboxylic acid.

Molecular Properties

Compound Name6-cyclopentyloxane-2-carboxylic acid
PubChem CID130585212
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name6-cyclopentyloxane-2-carboxylic acid
SMILESO=C(O)C1CCCC(C2CCCC2)O1
InChIInChI=1S/C11H18O3/c12-11(13)10-7-3-6-9(14-10)8-4-1-2-5-8/h8-10H,1-7H2,(H,12,13)
InChIKeySFZHLQACRYMSRW-UHFFFAOYSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxane-2-carboxylic acid?
The IUPAC name of 6-cyclopentyloxane-2-carboxylic acid (CID 130585212) is 6-cyclopentyloxane-2-carboxylic acid.
What is the SMILES notation for 6-cyclopentyloxane-2-carboxylic acid?
The canonical SMILES for 6-cyclopentyloxane-2-carboxylic acid is O=C(O)C1CCCC(C2CCCC2)O1.
What is the InChIKey of 6-cyclopentyloxane-2-carboxylic acid?
The InChIKey is SFZHLQACRYMSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-11(13)10-7-3-6-9(14-10)8-4-1-2-5-8/h8-10H,1-7H2,(H,12,13).
What are the key properties of 6-cyclopentyloxane-2-carboxylic acid?
6-cyclopentyloxane-2-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxane-2-carboxylic acid is sourced from PubChem (CID 130585212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).