1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol

C29H35FO2Si — CID 134854054

IUPAC1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol
SMILESCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)C(F)=CCc1ccccc1
InChIInChI=1S/C29H35FO2Si/c1-23(28(31)27(30)21-20-24-14-8-5-9-15-24)22-32-33(29(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,21,23,28,31H,20,22H2,1-4H3
InChIKeyNOJLJHFYVXLCJE-UHFFFAOYSA-N
MW462.68 g/mol
LogP5.66
Rot. Bonds9

About 1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol

1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol (PubChem CID 134854054) has the molecular formula C29H35FO2Si and a molecular weight of 462.68 g/mol. Its IUPAC name is 1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol.

Molecular Properties

Compound Name1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol
PubChem CID134854054
Molecular FormulaC29H35FO2Si
Molecular Weight462.68 g/mol
Exact Mass462.24
IUPAC Name1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol
SMILESCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)C(F)=CCc1ccccc1
InChIInChI=1S/C29H35FO2Si/c1-23(28(31)27(30)21-20-24-14-8-5-9-15-24)22-32-33(29(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,21,23,28,31H,20,22H2,1-4H3
InChIKeyNOJLJHFYVXLCJE-UHFFFAOYSA-N
XLogP5.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol?
The IUPAC name of 1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol (CID 134854054) is 1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol.
What is the SMILES notation for 1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol?
The canonical SMILES for 1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol is CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(O)C(F)=CCc1ccccc1.
What is the InChIKey of 1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol?
The InChIKey is NOJLJHFYVXLCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FO2Si/c1-23(28(31)27(30)21-20-24-14-8-5-9-15-24)22-32-33(29(2,3)4,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,21,23,28,31H,20,22H2,1-4H3.
What are the key properties of 1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol?
1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol has a molecular weight of 462.68 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(diphenyl)silyl]oxy-4-fluoro-2-methyl-6-phenylhex-4-en-3-ol is sourced from PubChem (CID 134854054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).