cyclopenta-2,4-dien-1-ylidenemethyl acetate

C8H8O2 — CID 5324878

IUPACcyclopenta-2,4-dien-1-ylidenemethyl acetate
SMILESCC(=O)OC=C1C=CC=C1
InChIInChI=1S/C8H8O2/c1-7(9)10-6-8-4-2-3-5-8/h2-6H,1H3
InChIKeyCYEVBLFBZQZLRH-UHFFFAOYSA-N
MW136.15 g/mol
LogP1.56
Rot. Bonds1

About cyclopenta-2,4-dien-1-ylidenemethyl acetate

cyclopenta-2,4-dien-1-ylidenemethyl acetate (PubChem CID 5324878) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidenemethyl acetate.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidenemethyl acetate
PubChem CID5324878
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Namecyclopenta-2,4-dien-1-ylidenemethyl acetate
SMILESCC(=O)OC=C1C=CC=C1
InChIInChI=1S/C8H8O2/c1-7(9)10-6-8-4-2-3-5-8/h2-6H,1H3
InChIKeyCYEVBLFBZQZLRH-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidenemethyl acetate?
The IUPAC name of cyclopenta-2,4-dien-1-ylidenemethyl acetate (CID 5324878) is cyclopenta-2,4-dien-1-ylidenemethyl acetate.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidenemethyl acetate?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidenemethyl acetate is CC(=O)OC=C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidenemethyl acetate?
The InChIKey is CYEVBLFBZQZLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-7(9)10-6-8-4-2-3-5-8/h2-6H,1H3.
What are the key properties of cyclopenta-2,4-dien-1-ylidenemethyl acetate?
cyclopenta-2,4-dien-1-ylidenemethyl acetate has a molecular weight of 136.15 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidenemethyl acetate is sourced from PubChem (CID 5324878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).