4-(oxan-2-yl)cyclohexa-2,4-dien-1-one

C11H14O2 — CID 141021516

IUPAC4-(oxan-2-yl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(C2CCCCO2)=CC1
InChIInChI=1S/C11H14O2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-6,11H,1-3,7-8H2
InChIKeyUAYQZLUVULJMKG-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.01
Rot. Bonds1

About 4-(oxan-2-yl)cyclohexa-2,4-dien-1-one

4-(oxan-2-yl)cyclohexa-2,4-dien-1-one (PubChem CID 141021516) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-(oxan-2-yl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-(oxan-2-yl)cyclohexa-2,4-dien-1-one
PubChem CID141021516
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-(oxan-2-yl)cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC(C2CCCCO2)=CC1
InChIInChI=1S/C11H14O2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-6,11H,1-3,7-8H2
InChIKeyUAYQZLUVULJMKG-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2R)-oxan-2-yl]phenol
CID 92978074
2-(oxan-2-yl)-1H-pyrrole
CID 70382280
5-(oxan-2-yl)-1H-pyrimidin-6-one
CID 3073823
2-chloro-6-(oxan-2-yl)pyridin-3-amine
CID 115028133
5-(oxan-2-yl)-1H-pyrazol-4-ol
CID 105433766
(6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione
CID 143627391
2-(oxan-2-yl)pyrimidin-5-amine
CID 126971971
2-(4-ethynylphenyl)oxane
CID 139689024
2-(4-ethenylphenyl)oxane
CID 67163438
4-(oxan-2-yl)-1,3-thiazole
CID 91346575
5-(oxan-2-yl)-1H-1,2,4-triazole
CID 91376030
methyl 3-hydroxy-4-(oxan-2-yl)benzoate
CID 14046868

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 4-(oxan-2-yl)cyclohexa-2,4-dien-1-one (CID 141021516) is 4-(oxan-2-yl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-(oxan-2-yl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-(oxan-2-yl)cyclohexa-2,4-dien-1-one is O=C1C=CC(C2CCCCO2)=CC1.
What is the InChIKey of 4-(oxan-2-yl)cyclohexa-2,4-dien-1-one?
The InChIKey is UAYQZLUVULJMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h4-6,11H,1-3,7-8H2.
What are the key properties of 4-(oxan-2-yl)cyclohexa-2,4-dien-1-one?
4-(oxan-2-yl)cyclohexa-2,4-dien-1-one has a molecular weight of 178.23 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141021516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).