9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one

C18H20O3 — CID 54691099

IUPAC9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one
SMILESC=CC(C1=C(O)CC2(CCCC2)OC1=O)c1ccccc1
InChIInChI=1S/C18H20O3/c1-2-14(13-8-4-3-5-9-13)16-15(19)12-18(21-17(16)20)10-6-7-11-18/h2-5,8-9,14,19H,1,6-7,10-12H2
InChIKeyCJXULZFXSQGWEA-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.03
Rot. Bonds3

About 9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one

9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one (PubChem CID 54691099) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one.

Molecular Properties

Compound Name9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one
PubChem CID54691099
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one
SMILESC=CC(C1=C(O)CC2(CCCC2)OC1=O)c1ccccc1
InChIInChI=1S/C18H20O3/c1-2-14(13-8-4-3-5-9-13)16-15(19)12-18(21-17(16)20)10-6-7-11-18/h2-5,8-9,14,19H,1,6-7,10-12H2
InChIKeyCJXULZFXSQGWEA-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one?
The IUPAC name of 9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one (CID 54691099) is 9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one.
What is the SMILES notation for 9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one?
The canonical SMILES for 9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one is C=CC(C1=C(O)CC2(CCCC2)OC1=O)c1ccccc1.
What is the InChIKey of 9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one?
The InChIKey is CJXULZFXSQGWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-2-14(13-8-4-3-5-9-13)16-15(19)12-18(21-17(16)20)10-6-7-11-18/h2-5,8-9,14,19H,1,6-7,10-12H2.
What are the key properties of 9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one?
9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one has a molecular weight of 284.36 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-8-(1-phenylprop-2-enyl)-6-oxaspiro[4.5]dec-8-en-7-one is sourced from PubChem (CID 54691099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).