8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane

C24H34O6Si2 — CID 123741554

IUPAC8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane
SMILESCC(=O)C#CC#CC#CO.CO[Si](C)(C)CCc1ccc(CC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C16H30O4Si2.C8H4O2/c1-17-21(5,6)13-11-15-7-9-16(10-8-15)12-14-22(18-2,19-3)20-4;1-8(10)6-4-2-3-5-7-9/h7-10H,11-14H2,1-6H3;9H,1H3
InChIKeyVIAGIFOUUGBTHI-UHFFFAOYSA-N
MW474.70 g/mol
LogP3.42
Rot. Bonds10

About 8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane

8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane (PubChem CID 123741554) has the molecular formula C24H34O6Si2 and a molecular weight of 474.70 g/mol. Its IUPAC name is 8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane.

Molecular Properties

Compound Name8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane
PubChem CID123741554
Molecular FormulaC24H34O6Si2
Molecular Weight474.70 g/mol
Exact Mass474.19
IUPAC Name8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane
SMILESCC(=O)C#CC#CC#CO.CO[Si](C)(C)CCc1ccc(CC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C16H30O4Si2.C8H4O2/c1-17-21(5,6)13-11-15-7-9-16(10-8-15)12-14-22(18-2,19-3)20-4;1-8(10)6-4-2-3-5-7-9/h7-10H,11-14H2,1-6H3;9H,1H3
InChIKeyVIAGIFOUUGBTHI-UHFFFAOYSA-N
XLogP3.42
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.70
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[4-(2-trimethoxysilylethyl)phenyl]silane
CID 152723809
[bis(hydroxymethyl)-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]methanol
CID 123655126
[4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate
CID 59772013
2-(3,4-dimethylphenyl)ethyl-trimethoxysilane
CID 59566689
[4-[dimethyl-[2-[4-(2-trimethoxysilylethyl)phenyl]ethyl]silyl]phenyl]-dodecyl-dimethylsilane
CID 155609330
N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)ethyl-trimethoxysilane
CID 170900368
trimethoxy-[2-[3-(2-trimethoxysilylethyl)phenyl]ethyl]silane
CID 56847492
2-[4-(benzenesulfonylmethyl)phenyl]ethyl-trimethoxysilane
CID 90226834
N-[2-[methoxy(dimethyl)silyl]ethyl]-2-methylprop-2-enamide
CID 22282767
trimethoxy-[2-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylmethyl]phenyl]ethyl]silane
CID 90226967
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527

Frequently Asked Questions

What is the IUPAC name of 8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane?
The IUPAC name of 8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane (CID 123741554) is 8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane.
What is the SMILES notation for 8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane?
The canonical SMILES for 8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane is CC(=O)C#CC#CC#CO.CO[Si](C)(C)CCc1ccc(CC[Si](OC)(OC)OC)cc1.
What is the InChIKey of 8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane?
The InChIKey is VIAGIFOUUGBTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4Si2.C8H4O2/c1-17-21(5,6)13-11-15-7-9-16(10-8-15)12-14-22(18-2,19-3)20-4;1-8(10)6-4-2-3-5-7-9/h7-10H,11-14H2,1-6H3;9H,1H3.
What are the key properties of 8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane?
8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane has a molecular weight of 474.70 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyocta-3,5,7-triyn-2-one;trimethoxy-[2-[4-[2-[methoxy(dimethyl)silyl]ethyl]phenyl]ethyl]silane is sourced from PubChem (CID 123741554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).