1-(oxan-2-yl)non-8-en-2-one

C14H24O2 — CID 107008381

IUPAC1-(oxan-2-yl)non-8-en-2-one
SMILESC=CCCCCCC(=O)CC1CCCCO1
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-9-13(15)12-14-10-7-8-11-16-14/h2,14H,1,3-12H2
InChIKeyBRPJUEBKLOJPRU-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.65
Rot. Bonds8

About 1-(oxan-2-yl)non-8-en-2-one

1-(oxan-2-yl)non-8-en-2-one (PubChem CID 107008381) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(oxan-2-yl)non-8-en-2-one.

Molecular Properties

Compound Name1-(oxan-2-yl)non-8-en-2-one
PubChem CID107008381
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(oxan-2-yl)non-8-en-2-one
SMILESC=CCCCCCC(=O)CC1CCCCO1
InChIInChI=1S/C14H24O2/c1-2-3-4-5-6-9-13(15)12-14-10-7-8-11-16-14/h2,14H,1,3-12H2
InChIKeyBRPJUEBKLOJPRU-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Decen-5-olide
CID 21885377
(2S,3R,6R)-2-hex-5-enyl-3,6-dimethyloxan-4-one
CID 9794332
(4R)-4-dec-9-enyloxetan-2-one
CID 10584585
methyl 2-[(2S,6R)-6-prop-2-enyloxan-2-yl]acetate
CID 11252605
(4S)-4-dec-9-enyloxetan-2-one
CID 11424361
4-Dec-9-enyloxetan-2-one
CID 15467449
(2S,6S)-2-hexyl-6-[(E)-prop-1-enyl]oxan-4-one
CID 101354235
2-[(2S,4S,6R)-4-methoxy-6-prop-2-enyloxan-2-yl]acetaldehyde
CID 145945204
1-(2,2,2-Trifluoroethoxy)dec-9-en-3-one
CID 107008427
1-(2,2-Difluoroethoxy)dec-9-en-3-one
CID 107008428
Ethyl 3-oxo-9-decenoate
CID 10036105
Ethyl 3-oxo-12-tridecenoate
CID 11470810

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)non-8-en-2-one?
The IUPAC name of 1-(oxan-2-yl)non-8-en-2-one (CID 107008381) is 1-(oxan-2-yl)non-8-en-2-one.
What is the SMILES notation for 1-(oxan-2-yl)non-8-en-2-one?
The canonical SMILES for 1-(oxan-2-yl)non-8-en-2-one is C=CCCCCCC(=O)CC1CCCCO1.
What is the InChIKey of 1-(oxan-2-yl)non-8-en-2-one?
The InChIKey is BRPJUEBKLOJPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-3-4-5-6-9-13(15)12-14-10-7-8-11-16-14/h2,14H,1,3-12H2.
What are the key properties of 1-(oxan-2-yl)non-8-en-2-one?
1-(oxan-2-yl)non-8-en-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)non-8-en-2-one is sourced from PubChem (CID 107008381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).