[dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol

C55H104O5SSi7 — CID 157191651

IUPAC[dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol
SMILESC=C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)CC(CC)c1ccccc1.CCC(C[Si](C)(C)O[Si](C)(C)C)c1ccccc1.CCC(C[Si](C)(CCSCCCCCCO)O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C22H42O2SSi2.C18H34O2Si3.C15H28OSi2/c1-6-21(22-14-10-9-11-15-22)20-27(5,24-26(2,3)4)19-18-25-17-13-8-7-12-16-23;1-9-17(18-14-12-11-13-15-18)16-22(6,7)20-23(8,10-2)19-21(3,4)5;1-7-14(15-11-9-8-10-12-15)13-18(5,6)16-17(2,3)4/h9-11,14-15,21,23H,6-8,12-13,16-20H2,1-5H3;10-15,17H,2,9,16H2,1,3-8H3;8-12,14H,7,13H2,1-6H3
InChIKeyAPTNYJIPYMFWGT-UHFFFAOYSA-N
MW1074.10 g/mol
LogP18.18
Rot. Bonds30

About [dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol

[dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol (PubChem CID 157191651) has the molecular formula C55H104O5SSi7 and a molecular weight of 1074.10 g/mol. Its IUPAC name is [dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol.

Molecular Properties

Compound Name[dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol
PubChem CID157191651
Molecular FormulaC55H104O5SSi7
Molecular Weight1074.10 g/mol
Exact Mass1072.60
IUPAC Name[dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol
SMILESC=C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)CC(CC)c1ccccc1.CCC(C[Si](C)(C)O[Si](C)(C)C)c1ccccc1.CCC(C[Si](C)(CCSCCCCCCO)O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C22H42O2SSi2.C18H34O2Si3.C15H28OSi2/c1-6-21(22-14-10-9-11-15-22)20-27(5,24-26(2,3)4)19-18-25-17-13-8-7-12-16-23;1-9-17(18-14-12-11-13-15-18)16-22(6,7)20-23(8,10-2)19-21(3,4)5;1-7-14(15-11-9-8-10-12-15)13-18(5,6)16-17(2,3)4/h9-11,14-15,21,23H,6-8,12-13,16-20H2,1-5H3;10-15,17H,2,9,16H2,1,3-8H3;8-12,14H,7,13H2,1-6H3
InChIKeyAPTNYJIPYMFWGT-UHFFFAOYSA-N
XLogP18.18
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001074.10
LogP ≤ 518.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol with MolForge

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Related Compounds

[dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane
CID 157191653
(3,3-dimethyl-2-phenylbutyl)-dimethyl-trimethylsilyloxysilane
CID 175031101
[2-phenyl-3-tris(trimethylsilyloxy)silylpropyl] 2-methylprop-2-enoate
CID 148549656
2-[bis(prop-2-enyl)amino]-2-phenylacetic acid
CID 22683784
azane;pentan-3-ylbenzene
CID 19774895
6-[methyl-bis(trimethylsilyloxy)silyl]hexan-1-ol
CID 59029801
(1-fluoro-1-phenylpentan-3-yl)benzene
CID 150013028
8-pentylsulfanyloctan-1-ol
CID 86658436
(2R)-2-amino-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-phenylacetamide
CID 114171939
6-(2-chlorophenyl)sulfanylhexan-1-ol
CID 103736267
dec-9-en-1-ol;phenylmethanol
CID 159433557
5-(1-phenylpropylamino)pentan-1-ol
CID 62305220

Frequently Asked Questions

What is the IUPAC name of [dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol?
The IUPAC name of [dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol (CID 157191651) is [dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol.
What is the SMILES notation for [dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol?
The canonical SMILES for [dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol is C=C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)CC(CC)c1ccccc1.CCC(C[Si](C)(C)O[Si](C)(C)C)c1ccccc1.CCC(C[Si](C)(CCSCCCCCCO)O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of [dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol?
The InChIKey is APTNYJIPYMFWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2SSi2.C18H34O2Si3.C15H28OSi2/c1-6-21(22-14-10-9-11-15-22)20-27(5,24-26(2,3)4)19-18-25-17-13-8-7-12-16-23;1-9-17(18-14-12-11-13-15-18)16-22(6,7)20-23(8,10-2)19-21(3,4)5;1-7-14(15-11-9-8-10-12-15)13-18(5,6)16-17(2,3)4/h9-11,14-15,21,23H,6-8,12-13,16-20H2,1-5H3;10-15,17H,2,9,16H2,1,3-8H3;8-12,14H,7,13H2,1-6H3.
What are the key properties of [dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol?
[dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol has a molecular weight of 1074.10 g/mol, XLogP of 18.18, 30 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(2-phenylbutyl)silyl]oxy-ethenyl-methyl-trimethylsilyloxysilane;dimethyl-(2-phenylbutyl)-trimethylsilyloxysilane;6-[2-[methyl-(2-phenylbutyl)-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol is sourced from PubChem (CID 157191651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).