2-cyclohexylacetic acid

C8H14O2 — CID 21363

IUPAC2-cyclohexylacetic acid
SMILESO=C(O)CC1CCCCC1
InChIInChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
InChIKeyLJOODBDWMQKMFB-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.04
Rot. Bonds2

About 2-cyclohexylacetic acid

2-cyclohexylacetic acid (PubChem CID 21363) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-cyclohexylacetic acid.

Molecular Properties

Compound Name2-cyclohexylacetic acid
PubChem CID21363
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-cyclohexylacetic acid
SMILESO=C(O)CC1CCCCC1
InChIInChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
InChIKeyLJOODBDWMQKMFB-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylacetic acid?
The IUPAC name of 2-cyclohexylacetic acid (CID 21363) is 2-cyclohexylacetic acid.
What is the SMILES notation for 2-cyclohexylacetic acid?
The canonical SMILES for 2-cyclohexylacetic acid is O=C(O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexylacetic acid?
The InChIKey is LJOODBDWMQKMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10).
What are the key properties of 2-cyclohexylacetic acid?
2-cyclohexylacetic acid has a molecular weight of 142.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylacetic acid is sourced from PubChem (CID 21363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).