2-cyclohex-2-en-1-yloxyacetic acid

C8H12O3 — CID 12648840

IUPAC2-cyclohex-2-en-1-yloxyacetic acid
SMILESO=C(O)COC1C=CCCC1
InChIInChI=1S/C8H12O3/c9-8(10)6-11-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2,(H,9,10)
InChIKeySZJWITZRRYTWIS-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.20
Rot. Bonds3

About 2-cyclohex-2-en-1-yloxyacetic acid

2-cyclohex-2-en-1-yloxyacetic acid (PubChem CID 12648840) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yloxyacetic acid.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yloxyacetic acid
PubChem CID12648840
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-cyclohex-2-en-1-yloxyacetic acid
SMILESO=C(O)COC1C=CCCC1
InChIInChI=1S/C8H12O3/c9-8(10)6-11-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2,(H,9,10)
InChIKeySZJWITZRRYTWIS-UHFFFAOYSA-N
XLogP1.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-yloxyacetic acid?
The IUPAC name of 2-cyclohex-2-en-1-yloxyacetic acid (CID 12648840) is 2-cyclohex-2-en-1-yloxyacetic acid.
What is the SMILES notation for 2-cyclohex-2-en-1-yloxyacetic acid?
The canonical SMILES for 2-cyclohex-2-en-1-yloxyacetic acid is O=C(O)COC1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-yloxyacetic acid?
The InChIKey is SZJWITZRRYTWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-8(10)6-11-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2,(H,9,10).
What are the key properties of 2-cyclohex-2-en-1-yloxyacetic acid?
2-cyclohex-2-en-1-yloxyacetic acid has a molecular weight of 156.18 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yloxyacetic acid is sourced from PubChem (CID 12648840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).