6-undecylpyran-2-one

C16H26O2 — CID 14827366

IUPAC6-undecylpyran-2-one
SMILESCCCCCCCCCCCc1cccc(=O)o1
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h11,13-14H,2-10,12H2,1H3
InChIKeyHOEALFFVMRWQLO-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.71
Rot. Bonds10

About 6-undecylpyran-2-one

6-undecylpyran-2-one (PubChem CID 14827366) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 6-undecylpyran-2-one.

Molecular Properties

Compound Name6-undecylpyran-2-one
PubChem CID14827366
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name6-undecylpyran-2-one
SMILESCCCCCCCCCCCc1cccc(=O)o1
InChIInChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h11,13-14H,2-10,12H2,1H3
InChIKeyHOEALFFVMRWQLO-UHFFFAOYSA-N
XLogP4.71
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.71
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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Related Compounds

bis(5-octadecylfuran-2-yl)iodanium
CID 139729189
6-hexyl-3-phenylpyran-2-one
CID 102223315
(5-tetradecylfuran-2-yl)methanesulfonic acid
CID 155313093
2-(5-hexylfuran-2-yl)acetic acid
CID 10954815
4-hydroxy-6-pentylpyran-2-one
CID 54686804
2-decylbenzene-1,3-diamine
CID 141061522
2-hexyl-5-propan-2-ylfuran
CID 11615340
acetic acid;8-(5-hexylfuran-2-yl)octan-1-ol
CID 71319263
5-hexylfuran-2-carboxylic acid
CID 86015959
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-heptylfuran-2-sulfonic acid
CID 129105151
2-hexadecylbenzo[f][1]benzofuran-4,9-dione
CID 134542826

Frequently Asked Questions

What is the IUPAC name of 6-undecylpyran-2-one?
The IUPAC name of 6-undecylpyran-2-one (CID 14827366) is 6-undecylpyran-2-one.
What is the SMILES notation for 6-undecylpyran-2-one?
The canonical SMILES for 6-undecylpyran-2-one is CCCCCCCCCCCc1cccc(=O)o1.
What is the InChIKey of 6-undecylpyran-2-one?
The InChIKey is HOEALFFVMRWQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14-16(17)18-15/h11,13-14H,2-10,12H2,1H3.
What are the key properties of 6-undecylpyran-2-one?
6-undecylpyran-2-one has a molecular weight of 250.38 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-undecylpyran-2-one is sourced from PubChem (CID 14827366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).