4-hydroxy-6-triphenoxysilylhex-1-en-3-one

C24H24O5Si — CID 66628356

IUPAC4-hydroxy-6-triphenoxysilylhex-1-en-3-one
SMILESC=CC(=O)C(O)CC[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C24H24O5Si/c1-2-23(25)24(26)18-19-30(27-20-12-6-3-7-13-20,28-21-14-8-4-9-15-21)29-22-16-10-5-11-17-22/h2-17,24,26H,1,18-19H2
InChIKeyFUHCAZVHIAYBCD-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.67
Rot. Bonds11

About 4-hydroxy-6-triphenoxysilylhex-1-en-3-one

4-hydroxy-6-triphenoxysilylhex-1-en-3-one (PubChem CID 66628356) has the molecular formula C24H24O5Si and a molecular weight of 420.54 g/mol. Its IUPAC name is 4-hydroxy-6-triphenoxysilylhex-1-en-3-one.

Molecular Properties

Compound Name4-hydroxy-6-triphenoxysilylhex-1-en-3-one
PubChem CID66628356
Molecular FormulaC24H24O5Si
Molecular Weight420.54 g/mol
Exact Mass420.14
IUPAC Name4-hydroxy-6-triphenoxysilylhex-1-en-3-one
SMILESC=CC(=O)C(O)CC[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C24H24O5Si/c1-2-23(25)24(26)18-19-30(27-20-12-6-3-7-13-20,28-21-14-8-4-9-15-21)29-22-16-10-5-11-17-22/h2-17,24,26H,1,18-19H2
InChIKeyFUHCAZVHIAYBCD-UHFFFAOYSA-N
XLogP4.67
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-triphenoxysilylhex-1-en-3-one?
The IUPAC name of 4-hydroxy-6-triphenoxysilylhex-1-en-3-one (CID 66628356) is 4-hydroxy-6-triphenoxysilylhex-1-en-3-one.
What is the SMILES notation for 4-hydroxy-6-triphenoxysilylhex-1-en-3-one?
The canonical SMILES for 4-hydroxy-6-triphenoxysilylhex-1-en-3-one is C=CC(=O)C(O)CC[Si](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 4-hydroxy-6-triphenoxysilylhex-1-en-3-one?
The InChIKey is FUHCAZVHIAYBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O5Si/c1-2-23(25)24(26)18-19-30(27-20-12-6-3-7-13-20,28-21-14-8-4-9-15-21)29-22-16-10-5-11-17-22/h2-17,24,26H,1,18-19H2.
What are the key properties of 4-hydroxy-6-triphenoxysilylhex-1-en-3-one?
4-hydroxy-6-triphenoxysilylhex-1-en-3-one has a molecular weight of 420.54 g/mol, XLogP of 4.67, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-triphenoxysilylhex-1-en-3-one is sourced from PubChem (CID 66628356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).