2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one

C17H24O5 — CID 10892205

IUPAC2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one
SMILESC=CCC(CC(O)Cc1cc(=O)cco1)OC1CCCCO1
InChIInChI=1S/C17H24O5/c1-2-5-15(22-17-6-3-4-8-21-17)11-14(19)12-16-10-13(18)7-9-20-16/h2,7,9-10,14-15,17,19H,1,3-6,8,11-12H2
InChIKeySOFZBPOVWDJSCH-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.42
Rot. Bonds8

About 2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one

2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one (PubChem CID 10892205) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one.

Molecular Properties

Compound Name2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one
PubChem CID10892205
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one
SMILESC=CCC(CC(O)Cc1cc(=O)cco1)OC1CCCCO1
InChIInChI=1S/C17H24O5/c1-2-5-15(22-17-6-3-4-8-21-17)11-14(19)12-16-10-13(18)7-9-20-16/h2,7,9-10,14-15,17,19H,1,3-6,8,11-12H2
InChIKeySOFZBPOVWDJSCH-UHFFFAOYSA-N
XLogP2.42
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-ethenyl-3-(oxan-2-yloxy)hex-5-enoxy]oxane
CID 139677172
1-methanidyloxy-3-[2-(oxan-2-yloxy)-3-prop-2-enoxypropoxy]propan-2-ol;methanol;bis(rutherfordium)
CID 177273983
(2S)-3-[3-(methoxymethyl)phenyl]-2-(oxan-2-yloxy)propan-1-ol
CID 15450471
2-[1,3-bis(but-3-enoxy)propan-2-yloxy]oxane
CID 177262162
1-[4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 157467206
(5R)-5-(oxan-2-yloxy)undec-1-en-3-ol
CID 11832481
2-(1-diethoxyphosphorylbut-3-enoxy)oxane
CID 11335314
2-(2-ethenylphenoxy)oxecane
CID 139905565
oxan-2-yl (2R)-2-hydroxy-3-phenylpropanoate
CID 131720683
2-[1,3-bis(prop-2-enoxy)propan-2-yloxy]oxane;2-[1-(oxiran-2-ylmethoxy)-3-prop-2-enoxypropan-2-yl]oxyoxane
CID 160594356
2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole
CID 166757522
(3S)-N-benzyl-4-hydroxy-3-(oxan-2-yloxy)butanamide
CID 139705725

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one?
The IUPAC name of 2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one (CID 10892205) is 2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one.
What is the SMILES notation for 2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one?
The canonical SMILES for 2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one is C=CCC(CC(O)Cc1cc(=O)cco1)OC1CCCCO1.
What is the InChIKey of 2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one?
The InChIKey is SOFZBPOVWDJSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5/c1-2-5-15(22-17-6-3-4-8-21-17)11-14(19)12-16-10-13(18)7-9-20-16/h2,7,9-10,14-15,17,19H,1,3-6,8,11-12H2.
What are the key properties of 2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one?
2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one has a molecular weight of 308.37 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-4-(oxan-2-yloxy)hept-6-enyl]pyran-4-one is sourced from PubChem (CID 10892205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).