4-pentoxycyclopent-2-en-1-one

C10H16O2 — CID 70426291

IUPAC4-pentoxycyclopent-2-en-1-one
SMILESCCCCCOC1C=CC(=O)C1
InChIInChI=1S/C10H16O2/c1-2-3-4-7-12-10-6-5-9(11)8-10/h5-6,10H,2-4,7-8H2,1H3
InChIKeyHYXHXVUVDKERTI-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds5

About 4-pentoxycyclopent-2-en-1-one

4-pentoxycyclopent-2-en-1-one (PubChem CID 70426291) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-pentoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name4-pentoxycyclopent-2-en-1-one
PubChem CID70426291
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-pentoxycyclopent-2-en-1-one
SMILESCCCCCOC1C=CC(=O)C1
InChIInChI=1S/C10H16O2/c1-2-3-4-7-12-10-6-5-9(11)8-10/h5-6,10H,2-4,7-8H2,1H3
InChIKeyHYXHXVUVDKERTI-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-pentoxycyclopent-2-en-1-one?
The IUPAC name of 4-pentoxycyclopent-2-en-1-one (CID 70426291) is 4-pentoxycyclopent-2-en-1-one.
What is the SMILES notation for 4-pentoxycyclopent-2-en-1-one?
The canonical SMILES for 4-pentoxycyclopent-2-en-1-one is CCCCCOC1C=CC(=O)C1.
What is the InChIKey of 4-pentoxycyclopent-2-en-1-one?
The InChIKey is HYXHXVUVDKERTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-7-12-10-6-5-9(11)8-10/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 4-pentoxycyclopent-2-en-1-one?
4-pentoxycyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxycyclopent-2-en-1-one is sourced from PubChem (CID 70426291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).