6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol

C26H52O3SSi3 — CID 153427677

IUPAC6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol
SMILESCCC(C)CC(c1ccccc1)[Si](C)(C)O[Si](C)(CCSCCCCCCO)O[Si](C)(C)C
InChIInChI=1S/C26H52O3SSi3/c1-9-24(2)23-26(25-17-13-12-14-18-25)32(6,7)29-33(8,28-31(3,4)5)22-21-30-20-16-11-10-15-19-27/h12-14,17-18,24,26-27H,9-11,15-16,19-23H2,1-8H3
InChIKeyVJBNHMYFIFOBEL-UHFFFAOYSA-N
MW529.02 g/mol
LogP8.18
Rot. Bonds18

About 6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol

6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol (PubChem CID 153427677) has the molecular formula C26H52O3SSi3 and a molecular weight of 529.02 g/mol. Its IUPAC name is 6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol.

Molecular Properties

Compound Name6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol
PubChem CID153427677
Molecular FormulaC26H52O3SSi3
Molecular Weight529.02 g/mol
Exact Mass528.29
IUPAC Name6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol
SMILESCCC(C)CC(c1ccccc1)[Si](C)(C)O[Si](C)(CCSCCCCCCO)O[Si](C)(C)C
InChIInChI=1S/C26H52O3SSi3/c1-9-24(2)23-26(25-17-13-12-14-18-25)32(6,7)29-33(8,28-31(3,4)5)22-21-30-20-16-11-10-15-19-27/h12-14,17-18,24,26-27H,9-11,15-16,19-23H2,1-8H3
InChIKeyVJBNHMYFIFOBEL-UHFFFAOYSA-N
XLogP8.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.02
LogP ≤ 58.18
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'}

Analyze 6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol 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

(2S,3R)-2-tert-butylsulfanyl-4-methyl-1-phenylpentan-3-ol
CID 15257345
3-Benzylsulfanylpropyl(triethoxy)silane
CID 59305910
3-(tert-Butyldimethylsilyloxy)-2-benzylpropanol
CID 21678418
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[2-[(E)-2-phenylethenyl]-1,3-dithian-2-yl]hept-6-en-2-ol
CID 11677043
(2S,3R)-2-tert-butylsulfanyl-1-phenylhexan-3-ol
CID 15257338
(E,2R)-1-[2-[(2R,4E)-2-[tert-butyl(dimethyl)silyl]oxy-4-methylocta-4,7-dienyl]-1,3-dithian-2-yl]-5-methyl-7-phenylhept-5-en-2-ol
CID 59053274
(3S)-3-tert-butylsulfanyl-3-phenylpropan-1-ol
CID 101378671
(1-Ethylsulfanyl-3-phenylpropoxy)-trimethylsilane
CID 101599422
11-Benzylthio-undecanol
CID 101781590
Hydroxybenzylthiododecane
CID 129761375
3,5-Dimethyl-4-hydroxybenzylthiododecane
CID 129869166
(3R)-3-tert-butylsulfanyl-3-phenylpropan-1-ol
CID 134847891

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol?
The IUPAC name of 6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol (CID 153427677) is 6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol.
What is the SMILES notation for 6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol?
The canonical SMILES for 6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol is CCC(C)CC(c1ccccc1)[Si](C)(C)O[Si](C)(CCSCCCCCCO)O[Si](C)(C)C.
What is the InChIKey of 6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol?
The InChIKey is VJBNHMYFIFOBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O3SSi3/c1-9-24(2)23-26(25-17-13-12-14-18-25)32(6,7)29-33(8,28-31(3,4)5)22-21-30-20-16-11-10-15-19-27/h12-14,17-18,24,26-27H,9-11,15-16,19-23H2,1-8H3.
What are the key properties of 6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol?
6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol has a molecular weight of 529.02 g/mol, XLogP of 8.18, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[dimethyl-(3-methyl-1-phenylpentyl)silyl]oxy-methyl-trimethylsilyloxysilyl]ethylsulfanyl]hexan-1-ol is sourced from PubChem (CID 153427677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).