1-(oxan-4-yl)non-1-en-3-one

C14H24O2 — CID 57065591

IUPAC1-(oxan-4-yl)non-1-en-3-one
SMILESCCCCCCC(=O)C=CC1CCOCC1
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-14(15)8-7-13-9-11-16-12-10-13/h7-8,13H,2-6,9-12H2,1H3
InChIKeyFQBJNYFTGLSCEC-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.51
Rot. Bonds7

About 1-(oxan-4-yl)non-1-en-3-one

1-(oxan-4-yl)non-1-en-3-one (PubChem CID 57065591) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(oxan-4-yl)non-1-en-3-one.

Molecular Properties

Compound Name1-(oxan-4-yl)non-1-en-3-one
PubChem CID57065591
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(oxan-4-yl)non-1-en-3-one
SMILESCCCCCCC(=O)C=CC1CCOCC1
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-14(15)8-7-13-9-11-16-12-10-13/h7-8,13H,2-6,9-12H2,1H3
InChIKeyFQBJNYFTGLSCEC-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-morpholin-4-ylundec-1-en-3-one
CID 6365346
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
(E)-1-cyclohexylhex-1-en-3-one
CID 14869895
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
1-(oxan-4-yl)dodecan-5-one
CID 114192976
1-(oxolan-3-yl)nonan-1-one
CID 65330227
1-(oxolan-3-yl)heptan-1-one
CID 65330226
11-(oxan-4-yl)undec-10-enoic acid
CID 164916370
(E)-1-bromonon-1-en-3-one
CID 10987757
(E)-tridec-3-ene-2,5-dione
CID 12564114

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)non-1-en-3-one?
The IUPAC name of 1-(oxan-4-yl)non-1-en-3-one (CID 57065591) is 1-(oxan-4-yl)non-1-en-3-one.
What is the SMILES notation for 1-(oxan-4-yl)non-1-en-3-one?
The canonical SMILES for 1-(oxan-4-yl)non-1-en-3-one is CCCCCCC(=O)C=CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)non-1-en-3-one?
The InChIKey is FQBJNYFTGLSCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-3-4-5-6-14(15)8-7-13-9-11-16-12-10-13/h7-8,13H,2-6,9-12H2,1H3.
What are the key properties of 1-(oxan-4-yl)non-1-en-3-one?
1-(oxan-4-yl)non-1-en-3-one has a molecular weight of 224.34 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)non-1-en-3-one is sourced from PubChem (CID 57065591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).