cyclopenten-1-ylmethyl acetate

C8H12O2 — CID 6452882

IUPACcyclopenten-1-ylmethyl acetate
SMILESCC(=O)OCC1=CCCC1
InChIInChI=1S/C8H12O2/c1-7(9)10-6-8-4-2-3-5-8/h4H,2-3,5-6H2,1H3
InChIKeyYTFKODRXTIXMOG-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds2

About cyclopenten-1-ylmethyl acetate

cyclopenten-1-ylmethyl acetate (PubChem CID 6452882) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is cyclopenten-1-ylmethyl acetate.

Molecular Properties

Compound Namecyclopenten-1-ylmethyl acetate
PubChem CID6452882
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namecyclopenten-1-ylmethyl acetate
SMILESCC(=O)OCC1=CCCC1
InChIInChI=1S/C8H12O2/c1-7(9)10-6-8-4-2-3-5-8/h4H,2-3,5-6H2,1H3
InChIKeyYTFKODRXTIXMOG-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
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 cyclopenten-1-ylmethyl acetate?
The IUPAC name of cyclopenten-1-ylmethyl acetate (CID 6452882) is cyclopenten-1-ylmethyl acetate.
What is the SMILES notation for cyclopenten-1-ylmethyl acetate?
The canonical SMILES for cyclopenten-1-ylmethyl acetate is CC(=O)OCC1=CCCC1.
What is the InChIKey of cyclopenten-1-ylmethyl acetate?
The InChIKey is YTFKODRXTIXMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7(9)10-6-8-4-2-3-5-8/h4H,2-3,5-6H2,1H3.
What are the key properties of cyclopenten-1-ylmethyl acetate?
cyclopenten-1-ylmethyl acetate has a molecular weight of 140.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-ylmethyl acetate is sourced from PubChem (CID 6452882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).