4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one

C15H22O5 — CID 70532149

IUPAC4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one
SMILESO=C1CC(O)C=C1C=CCCCCC1OCCOC1O
InChIInChI=1S/C15H22O5/c16-12-9-11(13(17)10-12)5-3-1-2-4-6-14-15(18)20-8-7-19-14/h3,5,9,12,14-16,18H,1-2,4,6-8,10H2
InChIKeyJOINXFFUZPBQTI-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.10
Rot. Bonds6

About 4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one

4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one (PubChem CID 70532149) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one
PubChem CID70532149
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one
SMILESO=C1CC(O)C=C1C=CCCCCC1OCCOC1O
InChIInChI=1S/C15H22O5/c16-12-9-11(13(17)10-12)5-3-1-2-4-6-14-15(18)20-8-7-19-14/h3,5,9,12,14-16,18H,1-2,4,6-8,10H2
InChIKeyJOINXFFUZPBQTI-UHFFFAOYSA-N
XLogP1.10
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one (CID 70532149) is 4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one is O=C1CC(O)C=C1C=CCCCCC1OCCOC1O.
What is the InChIKey of 4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one?
The InChIKey is JOINXFFUZPBQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c16-12-9-11(13(17)10-12)5-3-1-2-4-6-14-15(18)20-8-7-19-14/h3,5,9,12,14-16,18H,1-2,4,6-8,10H2.
What are the key properties of 4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one?
4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one has a molecular weight of 282.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[6-(3-hydroxy-1,4-dioxan-2-yl)hex-1-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 70532149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).