6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one

C29H34O4Si — CID 132916777

IUPAC6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one
SMILESCC(C)(C)[Si](OCCC#CCCCCc1cc(O)cc(=O)o1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34O4Si/c1-29(2,3)34(26-17-11-8-12-18-26,27-19-13-9-14-20-27)32-21-15-7-5-4-6-10-16-25-22-24(30)23-28(31)33-25/h8-9,11-14,17-20,22-23,30H,4,6,10,15-16,21H2,1-3H3
InChIKeyWOAIGZPFENNVBZ-UHFFFAOYSA-N
MW474.67 g/mol
LogP5.03
Rot. Bonds9

About 6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one

6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one (PubChem CID 132916777) has the molecular formula C29H34O4Si and a molecular weight of 474.67 g/mol. Its IUPAC name is 6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one.

Molecular Properties

Compound Name6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one
PubChem CID132916777
Molecular FormulaC29H34O4Si
Molecular Weight474.67 g/mol
Exact Mass474.22
IUPAC Name6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one
SMILESCC(C)(C)[Si](OCCC#CCCCCc1cc(O)cc(=O)o1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H34O4Si/c1-29(2,3)34(26-17-11-8-12-18-26,27-19-13-9-14-20-27)32-21-15-7-5-4-6-10-16-25-22-24(30)23-28(31)33-25/h8-9,11-14,17-20,22-23,30H,4,6,10,15-16,21H2,1-3H3
InChIKeyWOAIGZPFENNVBZ-UHFFFAOYSA-N
XLogP5.03
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.67
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one with MolForge

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

Launch Full Analysis

Related Compounds

7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
tert-butyl-[5-[methyl(diphenyl)silyl]oxypent-3-ynoxy]-diphenylsilane
CID 11082053
tert-butyl-hex-3-ynoxy-diphenylsilane
CID 10860665
4-[5-[3-[tert-butyl(diphenyl)silyl]oxypropyl]furan-2-yl]butyl acetate
CID 16663523
tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
CID 140893830
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
methyl 5-[tert-butyl(diphenyl)silyl]oxypent-2-ynoate
CID 10926656
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
6-[tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluorohex-3-yn-2-one
CID 10644927
tert-butyl-[4-(3-methyloxiran-2-yl)but-3-ynoxy]-diphenylsilane
CID 73192940
6-[tert-butyl(diphenyl)silyl]oxy-1-(2-chloro-3-pyridinyl)hex-2-yn-1-one
CID 153467896
7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-one
CID 24795140

Frequently Asked Questions

What is the IUPAC name of 6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one?
The IUPAC name of 6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one (CID 132916777) is 6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one.
What is the SMILES notation for 6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one?
The canonical SMILES for 6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one is CC(C)(C)[Si](OCCC#CCCCCc1cc(O)cc(=O)o1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one?
The InChIKey is WOAIGZPFENNVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O4Si/c1-29(2,3)34(26-17-11-8-12-18-26,27-19-13-9-14-20-27)32-21-15-7-5-4-6-10-16-25-22-24(30)23-28(31)33-25/h8-9,11-14,17-20,22-23,30H,4,6,10,15-16,21H2,1-3H3.
What are the key properties of 6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one?
6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one has a molecular weight of 474.67 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-[tert-butyl(diphenyl)silyl]oxyoct-5-ynyl]-4-hydroxypyran-2-one is sourced from PubChem (CID 132916777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).