2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one

C14H22O3 — CID 12692833

IUPAC2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one
SMILESCCCCC1=CC(OC2CCCCO2)CC1=O
InChIInChI=1S/C14H22O3/c1-2-3-6-11-9-12(10-13(11)15)17-14-7-4-5-8-16-14/h9,12,14H,2-8,10H2,1H3
InChIKeyJUABSXJQZGEBGD-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.99
Rot. Bonds5

About 2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one

2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one (PubChem CID 12692833) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one
PubChem CID12692833
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one
SMILESCCCCC1=CC(OC2CCCCO2)CC1=O
InChIInChI=1S/C14H22O3/c1-2-3-6-11-9-12(10-13(11)15)17-14-7-4-5-8-16-14/h9,12,14H,2-8,10H2,1H3
InChIKeyJUABSXJQZGEBGD-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one?
The IUPAC name of 2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one (CID 12692833) is 2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one.
What is the SMILES notation for 2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one?
The canonical SMILES for 2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one is CCCCC1=CC(OC2CCCCO2)CC1=O.
What is the InChIKey of 2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one?
The InChIKey is JUABSXJQZGEBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-2-3-6-11-9-12(10-13(11)15)17-14-7-4-5-8-16-14/h9,12,14H,2-8,10H2,1H3.
What are the key properties of 2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one?
2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one has a molecular weight of 238.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one is sourced from PubChem (CID 12692833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).