6-pentyl-2H-pyran-5-one

C10H16O2 — CID 152583442

IUPAC6-pentyl-2H-pyran-5-one
SMILESCCCCCC1OCC=CC1=O
InChIInChI=1S/C10H16O2/c1-2-3-4-7-10-9(11)6-5-8-12-10/h5-6,10H,2-4,7-8H2,1H3
InChIKeyYTYPBKQYWGGSNB-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds4

About 6-pentyl-2H-pyran-5-one

6-pentyl-2H-pyran-5-one (PubChem CID 152583442) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-pentyl-2H-pyran-5-one.

Molecular Properties

Compound Name6-pentyl-2H-pyran-5-one
PubChem CID152583442
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6-pentyl-2H-pyran-5-one
SMILESCCCCCC1OCC=CC1=O
InChIInChI=1S/C10H16O2/c1-2-3-4-7-10-9(11)6-5-8-12-10/h5-6,10H,2-4,7-8H2,1H3
InChIKeyYTYPBKQYWGGSNB-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
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

[(2S)-5-oxo-2H-pyran-2-yl]methyl octanoate
CID 145961807
(3E,6S,16R)-6-methoxy-3,16-dimethyl-1-oxacyclohexadec-3-ene-2,5-dione
CID 56660110
(3E,6S,16R)-6-methoxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione
CID 56667024
[(3E,6S,16R)-16-methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl] acetate
CID 56683920
(2R)-2-(4-oxopentyl)-2,3-dihydropyran-6-one
CID 10559339
2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 14802850
2-(cyclohexen-1-ylmethyl)-6-methyl-2H-pyran-5-one
CID 44351570
2-(4-Oxopentyl)-2,3-dihydropyran-6-one
CID 85185627
(2S,6S)-2-(cyclohexen-1-ylmethyl)-6-methyl-2H-pyran-5-one
CID 15038125
6-hexyl-2-hydroxy-2H-pyran-5-one
CID 10798022
6-Tert-butylperoxy-2-heptyl-6-methylpyran-3-one
CID 11174032
3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one
CID 11240994

Frequently Asked Questions

What is the IUPAC name of 6-pentyl-2H-pyran-5-one?
The IUPAC name of 6-pentyl-2H-pyran-5-one (CID 152583442) is 6-pentyl-2H-pyran-5-one.
What is the SMILES notation for 6-pentyl-2H-pyran-5-one?
The canonical SMILES for 6-pentyl-2H-pyran-5-one is CCCCCC1OCC=CC1=O.
What is the InChIKey of 6-pentyl-2H-pyran-5-one?
The InChIKey is YTYPBKQYWGGSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-7-10-9(11)6-5-8-12-10/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 6-pentyl-2H-pyran-5-one?
6-pentyl-2H-pyran-5-one has a molecular weight of 168.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-2H-pyran-5-one is sourced from PubChem (CID 152583442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).