2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one

C15H22O3 — CID 101465605

IUPAC2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one
SMILESC=CCCCC1(CCCC=C)OC(O)C=CC1=O
InChIInChI=1S/C15H22O3/c1-3-5-7-11-15(12-8-6-4-2)13(16)9-10-14(17)18-15/h3-4,9-10,14,17H,1-2,5-8,11-12H2
InChIKeyNAMSLPLRTKDNBQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.91
Rot. Bonds8

About 2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one

2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one (PubChem CID 101465605) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one.

Molecular Properties

Compound Name2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one
PubChem CID101465605
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one
SMILESC=CCCCC1(CCCC=C)OC(O)C=CC1=O
InChIInChI=1S/C15H22O3/c1-3-5-7-11-15(12-8-6-4-2)13(16)9-10-14(17)18-15/h3-4,9-10,14,17H,1-2,5-8,11-12H2
InChIKeyNAMSLPLRTKDNBQ-UHFFFAOYSA-N
XLogP2.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

6-but-3-enyl-2-hydroxy-6-pent-4-enyl-2H-pyran-5-one
CID 101465604
(4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one
CID 42643548
(2R,6R)-6-[4-(4-chlorophenyl)phenyl]-2-hydroxy-6-methyl-2H-pyran-5-one
CID 125486270
(1S,2S,6R,7R)-1-hex-5-enyl-4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 45141270
(2S,3S)-2-[(1S)-1-hydroxyundec-10-enyl]-1,4-dioxaspiro[2.4]hept-6-en-5-one
CID 132606212
trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one
CID 53382000
1-pent-4-enylpyrrole-2,5-dione
CID 15519463
12-hydroxy-N-[(2R,3S,5S,9R,10S)-2,9,10-trihydroxy-6-oxo-1-oxaspiro[4.5]dec-7-en-3-yl]dodec-2-enamide
CID 162860342
[(2S,3S)-3-methyl-3-pent-4-enyloxiran-2-yl]methyl acetate
CID 57205835
CID 10950068
CID 10950068
furan-2,5-dione;hexadec-1-ene
CID 87102971
furan-2,5-dione;oct-1-ene
CID 86738184

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one?
The IUPAC name of 2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one (CID 101465605) is 2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one.
What is the SMILES notation for 2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one?
The canonical SMILES for 2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one is C=CCCCC1(CCCC=C)OC(O)C=CC1=O.
What is the InChIKey of 2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one?
The InChIKey is NAMSLPLRTKDNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-3-5-7-11-15(12-8-6-4-2)13(16)9-10-14(17)18-15/h3-4,9-10,14,17H,1-2,5-8,11-12H2.
What are the key properties of 2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one?
2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one has a molecular weight of 250.34 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6,6-bis(pent-4-enyl)-2H-pyran-5-one is sourced from PubChem (CID 101465605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).