(6S)-2-hydroxy-6-pentyl-2H-pyran-5-one

C10H16O3 — CID 14041215

IUPAC(6S)-2-hydroxy-6-pentyl-2H-pyran-5-one
SMILESCCCCC[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C10H16O3/c1-2-3-4-5-9-8(11)6-7-10(12)13-9/h6-7,9-10,12H,2-5H2,1H3/t9-,10?/m0/s1
InChIKeySSNIKVRJASRLNC-RGURZIINSA-N
MW184.24 g/mol
LogP1.41
Rot. Bonds4

About (6S)-2-hydroxy-6-pentyl-2H-pyran-5-one

(6S)-2-hydroxy-6-pentyl-2H-pyran-5-one (PubChem CID 14041215) has the molecular formula C10H16O3 and a molecular weight of 184.24 g/mol. Its IUPAC name is (6S)-2-hydroxy-6-pentyl-2H-pyran-5-one.

Molecular Properties

Compound Name(6S)-2-hydroxy-6-pentyl-2H-pyran-5-one
PubChem CID14041215
Molecular FormulaC10H16O3
Molecular Weight184.24 g/mol
Exact Mass184.11
IUPAC Name(6S)-2-hydroxy-6-pentyl-2H-pyran-5-one
SMILESCCCCC[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C10H16O3/c1-2-3-4-5-9-8(11)6-7-10(12)13-9/h6-7,9-10,12H,2-5H2,1H3/t9-,10?/m0/s1
InChIKeySSNIKVRJASRLNC-RGURZIINSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-3-en-5-one
CID 17757387
(2R,6R,8S)-2-hydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-3-en-5-one
CID 134139440
(2S,6S,8R)-2-hydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-3-en-5-one
CID 134142246
6-cyclohexyl-2-hydroxy-2H-pyran-5-one
CID 14641213
2-hydroxy-6-propyl-2H-pyran-5-one
CID 130030816
6-hexyl-2-hydroxy-2H-pyran-5-one
CID 10798022
2-Hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 11052277
2-Hexyl-6-hydroxy-6-methylpyran-3-one
CID 12360610
2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one
CID 13005830
6-butyl-2-hydroxy-2H-pyran-5-one
CID 14641211
(6S)-6-decyl-2-hydroxy-2H-pyran-5-one
CID 14641217
2-hydroxy-6-undecyl-2H-pyran-5-one
CID 14827354

Frequently Asked Questions

What is the IUPAC name of (6S)-2-hydroxy-6-pentyl-2H-pyran-5-one?
The IUPAC name of (6S)-2-hydroxy-6-pentyl-2H-pyran-5-one (CID 14041215) is (6S)-2-hydroxy-6-pentyl-2H-pyran-5-one.
What is the SMILES notation for (6S)-2-hydroxy-6-pentyl-2H-pyran-5-one?
The canonical SMILES for (6S)-2-hydroxy-6-pentyl-2H-pyran-5-one is CCCCC[C@@H]1OC(O)C=CC1=O.
What is the InChIKey of (6S)-2-hydroxy-6-pentyl-2H-pyran-5-one?
The InChIKey is SSNIKVRJASRLNC-RGURZIINSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-4-5-9-8(11)6-7-10(12)13-9/h6-7,9-10,12H,2-5H2,1H3/t9-,10?/m0/s1.
What are the key properties of (6S)-2-hydroxy-6-pentyl-2H-pyran-5-one?
(6S)-2-hydroxy-6-pentyl-2H-pyran-5-one has a molecular weight of 184.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-hydroxy-6-pentyl-2H-pyran-5-one is sourced from PubChem (CID 14041215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).