2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one

C14H22O3 — CID 13005830

IUPAC2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one
SMILESC=C(C)C(CCC1OC(O)C=CC1=O)C(C)C
InChIInChI=1S/C14H22O3/c1-9(2)11(10(3)4)5-7-13-12(15)6-8-14(16)17-13/h6,8,10-11,13-14,16H,1,5,7H2,2-4H3
InChIKeyGYYFMGNEQKHIEQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.46
Rot. Bonds5

About 2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one

2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one (PubChem CID 13005830) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one.

Molecular Properties

Compound Name2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one
PubChem CID13005830
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one
SMILESC=C(C)C(CCC1OC(O)C=CC1=O)C(C)C
InChIInChI=1S/C14H22O3/c1-9(2)11(10(3)4)5-7-13-12(15)6-8-14(16)17-13/h6,8,10-11,13-14,16H,1,5,7H2,2-4H3
InChIKeyGYYFMGNEQKHIEQ-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-cyclohexyl-2-hydroxy-2H-pyran-5-one
CID 14641213
6-hexyl-2-hydroxy-2H-pyran-5-one
CID 10798022
2-Hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 11052277
(6S)-2-hydroxy-6-pentyl-2H-pyran-5-one
CID 14041215
(6S)-6-decyl-2-hydroxy-2H-pyran-5-one
CID 14641217
2-hydroxy-6-undecyl-2H-pyran-5-one
CID 14827354
6-Hydroxy-2-(4-methylpent-4-en-1-yl)-2H-pyran-3(6H)-one
CID 71410670
(2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 129364170
(2Z,5S,11S,12S)-1-hydroxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[10.3.1.15,8]heptadeca-2,8(17),14-triene-7,13-dione
CID 134840437
[5-oxo-6-(3-prop-1-en-2-ylhexyl)-2H-pyran-2-yl] acetate
CID 135053300
1-O-methyl 8-O-prop-2-enyl (E,6R,7S)-6-ethenyl-7-[(6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]-2,6-dimethyloct-2-enedioate
CID 138979680
prop-2-enyl (2S,3R)-3-ethenyl-2-[(6S)-2-hydroxy-5-oxo-2H-pyran-6-yl]-3,7-dimethyloct-6-enoate
CID 138979973

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one?
The IUPAC name of 2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one (CID 13005830) is 2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one.
What is the SMILES notation for 2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one?
The canonical SMILES for 2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one is C=C(C)C(CCC1OC(O)C=CC1=O)C(C)C.
What is the InChIKey of 2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one?
The InChIKey is GYYFMGNEQKHIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-9(2)11(10(3)4)5-7-13-12(15)6-8-14(16)17-13/h6,8,10-11,13-14,16H,1,5,7H2,2-4H3.
What are the key properties of 2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one?
2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one has a molecular weight of 238.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(4-methyl-3-propan-2-ylpent-4-enyl)-2H-pyran-5-one is sourced from PubChem (CID 13005830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).