4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one

C22H30O3Si — CID 151815271

IUPAC4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one
SMILESC[Si](C)(C)C/C=C(/c1ccccc1)C1CCCC2(CC(O)=CC(=O)O2)C1
InChIInChI=1S/C22H30O3Si/c1-26(2,3)13-11-20(17-8-5-4-6-9-17)18-10-7-12-22(15-18)16-19(23)14-21(24)25-22/h4-6,8-9,11,14,18,23H,7,10,12-13,15-16H2,1-3H3/b20-11-
InChIKeySBLQEPBAWDMEFB-JAIQZWGSSA-N
MW370.56 g/mol
LogP5.73
Rot. Bonds4

About 4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one

4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one (PubChem CID 151815271) has the molecular formula C22H30O3Si and a molecular weight of 370.56 g/mol. Its IUPAC name is 4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one
PubChem CID151815271
Molecular FormulaC22H30O3Si
Molecular Weight370.56 g/mol
Exact Mass370.20
IUPAC Name4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one
SMILESC[Si](C)(C)C/C=C(/c1ccccc1)C1CCCC2(CC(O)=CC(=O)O2)C1
InChIInChI=1S/C22H30O3Si/c1-26(2,3)13-11-20(17-8-5-4-6-9-17)18-10-7-12-22(15-18)16-19(23)14-21(24)25-22/h4-6,8-9,11,14,18,23H,7,10,12-13,15-16H2,1-3H3/b20-11-
InChIKeySBLQEPBAWDMEFB-JAIQZWGSSA-N
XLogP5.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one?
The IUPAC name of 4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one (CID 151815271) is 4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one?
The canonical SMILES for 4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one is C[Si](C)(C)C/C=C(/c1ccccc1)C1CCCC2(CC(O)=CC(=O)O2)C1.
What is the InChIKey of 4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one?
The InChIKey is SBLQEPBAWDMEFB-JAIQZWGSSA-N. The full InChI is InChI=1S/C22H30O3Si/c1-26(2,3)13-11-20(17-8-5-4-6-9-17)18-10-7-12-22(15-18)16-19(23)14-21(24)25-22/h4-6,8-9,11,14,18,23H,7,10,12-13,15-16H2,1-3H3/b20-11-.
What are the key properties of 4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one?
4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one has a molecular weight of 370.56 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-10-[(E)-1-phenyl-3-trimethylsilylprop-1-enyl]-1-oxaspiro[5.5]undec-3-en-2-one is sourced from PubChem (CID 151815271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).