(7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one

C24H40O3Si — CID 46176723

IUPAC(7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one
SMILESC=CC(=O)CCC[C@H](C[C@@H](C)COCc1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C24H40O3Si/c1-6-23(25)16-13-17-24(27-28(7-2,8-3)9-4)18-21(5)19-26-20-22-14-11-10-12-15-22/h6,10-12,14-15,21,24H,1,7-9,13,16-20H2,2-5H3/t21-,24-/m1/s1
InChIKeyZXSXEPOYYACFLL-ZJSXRUAMSA-N
MW404.67 g/mol
LogP6.55
Rot. Bonds16

About (7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one

(7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one (PubChem CID 46176723) has the molecular formula C24H40O3Si and a molecular weight of 404.67 g/mol. Its IUPAC name is (7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one.

Molecular Properties

Compound Name(7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one
PubChem CID46176723
Molecular FormulaC24H40O3Si
Molecular Weight404.67 g/mol
Exact Mass404.27
IUPAC Name(7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one
SMILESC=CC(=O)CCC[C@H](C[C@@H](C)COCc1ccccc1)O[Si](CC)(CC)CC
InChIInChI=1S/C24H40O3Si/c1-6-23(25)16-13-17-24(27-28(7-2,8-3)9-4)18-21(5)19-26-20-22-14-11-10-12-15-22/h6,10-12,14-15,21,24H,1,7-9,13,16-20H2,2-5H3/t21-,24-/m1/s1
InChIKeyZXSXEPOYYACFLL-ZJSXRUAMSA-N
XLogP6.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.67
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one?
The IUPAC name of (7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one (CID 46176723) is (7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one.
What is the SMILES notation for (7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one?
The canonical SMILES for (7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one is C=CC(=O)CCC[C@H](C[C@@H](C)COCc1ccccc1)O[Si](CC)(CC)CC.
What is the InChIKey of (7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one?
The InChIKey is ZXSXEPOYYACFLL-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H40O3Si/c1-6-23(25)16-13-17-24(27-28(7-2,8-3)9-4)18-21(5)19-26-20-22-14-11-10-12-15-22/h6,10-12,14-15,21,24H,1,7-9,13,16-20H2,2-5H3/t21-,24-/m1/s1.
What are the key properties of (7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one?
(7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one has a molecular weight of 404.67 g/mol, XLogP of 6.55, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9R)-9-methyl-10-phenylmethoxy-7-triethylsilyloxydec-1-en-3-one is sourced from PubChem (CID 46176723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).