2-cyclopenta-1,4-dien-1-yloxyacetic acid

C7H8O3 — CID 137195901

IUPAC2-cyclopenta-1,4-dien-1-yloxyacetic acid
SMILESO=C(O)COC1=CCC=C1
InChIInChI=1S/C7H8O3/c8-7(9)5-10-6-3-1-2-4-6/h1,3-4H,2,5H2,(H,8,9)
InChIKeySROKIFAFGAYRPR-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.93
Rot. Bonds3

About 2-cyclopenta-1,4-dien-1-yloxyacetic acid

2-cyclopenta-1,4-dien-1-yloxyacetic acid (PubChem CID 137195901) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-yloxyacetic acid.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-yloxyacetic acid
PubChem CID137195901
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name2-cyclopenta-1,4-dien-1-yloxyacetic acid
SMILESO=C(O)COC1=CCC=C1
InChIInChI=1S/C7H8O3/c8-7(9)5-10-6-3-1-2-4-6/h1,3-4H,2,5H2,(H,8,9)
InChIKeySROKIFAFGAYRPR-UHFFFAOYSA-N
XLogP0.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,4-dien-1-yloxyacetic acid?
The IUPAC name of 2-cyclopenta-1,4-dien-1-yloxyacetic acid (CID 137195901) is 2-cyclopenta-1,4-dien-1-yloxyacetic acid.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-yloxyacetic acid?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-yloxyacetic acid is O=C(O)COC1=CCC=C1.
What is the InChIKey of 2-cyclopenta-1,4-dien-1-yloxyacetic acid?
The InChIKey is SROKIFAFGAYRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c8-7(9)5-10-6-3-1-2-4-6/h1,3-4H,2,5H2,(H,8,9).
What are the key properties of 2-cyclopenta-1,4-dien-1-yloxyacetic acid?
2-cyclopenta-1,4-dien-1-yloxyacetic acid has a molecular weight of 140.14 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,4-dien-1-yloxyacetic acid is sourced from PubChem (CID 137195901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).