5-pentoxycyclopent-2-en-1-one

C10H16O2 — CID 70453362

IUPAC5-pentoxycyclopent-2-en-1-one
SMILESCCCCCOC1CC=CC1=O
InChIInChI=1S/C10H16O2/c1-2-3-4-8-12-10-7-5-6-9(10)11/h5-6,10H,2-4,7-8H2,1H3
InChIKeyASNHWCXGHYHEPH-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds5

About 5-pentoxycyclopent-2-en-1-one

5-pentoxycyclopent-2-en-1-one (PubChem CID 70453362) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-pentoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name5-pentoxycyclopent-2-en-1-one
PubChem CID70453362
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name5-pentoxycyclopent-2-en-1-one
SMILESCCCCCOC1CC=CC1=O
InChIInChI=1S/C10H16O2/c1-2-3-4-8-12-10-7-5-6-9(10)11/h5-6,10H,2-4,7-8H2,1H3
InChIKeyASNHWCXGHYHEPH-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 5-pentoxycyclopent-2-en-1-one?
The IUPAC name of 5-pentoxycyclopent-2-en-1-one (CID 70453362) is 5-pentoxycyclopent-2-en-1-one.
What is the SMILES notation for 5-pentoxycyclopent-2-en-1-one?
The canonical SMILES for 5-pentoxycyclopent-2-en-1-one is CCCCCOC1CC=CC1=O.
What is the InChIKey of 5-pentoxycyclopent-2-en-1-one?
The InChIKey is ASNHWCXGHYHEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-8-12-10-7-5-6-9(10)11/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 5-pentoxycyclopent-2-en-1-one?
5-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 5-pentoxycyclopent-2-en-1-one is sourced from PubChem (CID 70453362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).