3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol

C48H104O11SSi3 — CID 87375396

IUPAC3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol
SMILESCCCCCCCC[Si](CC(C)CO)(OCC(C)CO)OCC(C)CC[Si](CCCS)(OCC(C)CO)OCC(C)CO[Si](CCCCCCCC)(CC(C)CO)OCC(C)CO
InChIInChI=1S/C48H104O11SSi3/c1-10-12-14-16-18-20-25-62(40-46(7)32-52,57-36-44(5)30-50)56-34-42(3)23-28-61(27-22-24-60,54-35-43(4)29-49)55-38-48(9)39-59-63(41-47(8)33-53,58-37-45(6)31-51)26-21-19-17-15-13-11-2/h42-53,60H,10-41H2,1-9H3
InChIKeyMZPWLTPNIAARNE-UHFFFAOYSA-N
MW973.67 g/mol
LogP10.26
Rot. Bonds47

About 3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol

3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol (PubChem CID 87375396) has the molecular formula C48H104O11SSi3 and a molecular weight of 973.67 g/mol. Its IUPAC name is 3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol
PubChem CID87375396
Molecular FormulaC48H104O11SSi3
Molecular Weight973.67 g/mol
Exact Mass972.66
IUPAC Name3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol
SMILESCCCCCCCC[Si](CC(C)CO)(OCC(C)CO)OCC(C)CC[Si](CCCS)(OCC(C)CO)OCC(C)CO[Si](CCCCCCCC)(CC(C)CO)OCC(C)CO
InChIInChI=1S/C48H104O11SSi3/c1-10-12-14-16-18-20-25-62(40-46(7)32-52,57-36-44(5)30-50)56-34-42(3)23-28-61(27-22-24-60,54-35-43(4)29-49)55-38-48(9)39-59-63(41-47(8)33-53,58-37-45(6)31-51)26-21-19-17-15-13-11-2/h42-53,60H,10-41H2,1-9H3
InChIKeyMZPWLTPNIAARNE-UHFFFAOYSA-N
XLogP10.26
TPSA156.53 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds47
Heavy Atoms63
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500973.67
LogP ≤ 510.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-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

4-[(3-hydroxy-2-methylpropoxy)-[2-methyl-3-[(5-methyl-2-octyl-1,3,2-dioxasilinan-2-yl)oxy]propoxy]-(4-sulfanylbutyl)silyl]-2-methylbutan-1-ol
CID 87092972
3-[bis[2-(dibutylamino)ethoxy]-octylsilyl]propane-1-thiol
CID 172767663
3-[bis[2-(didecylamino)ethoxy]-dodecylsilyl]propane-1-thiol
CID 158617164
2,6-dimethyldodecan-1-ol
CID 14392571
2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
3-[ethoxy-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-tridecylsilyl]propane-1-thiol;2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 160625351
(2S,4S,6S,8S,10S,12S,14S)-2,4,6,8,10,12,14-heptamethyltriacontan-1-ol
CID 102327418
2-methyl-6-octyltetradecan-1-ol
CID 174680408
dodecoxy-diethyl-(2-methylpentoxy)silane
CID 91743359
decoxy-diethyl-(2-methylpentoxy)silane
CID 91742310
2-methyl-3-undecoxypropan-1-ol
CID 138675065

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol?
The IUPAC name of 3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol (CID 87375396) is 3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol?
The canonical SMILES for 3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol is CCCCCCCC[Si](CC(C)CO)(OCC(C)CO)OCC(C)CC[Si](CCCS)(OCC(C)CO)OCC(C)CO[Si](CCCCCCCC)(CC(C)CO)OCC(C)CO.
What is the InChIKey of 3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol?
The InChIKey is MZPWLTPNIAARNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H104O11SSi3/c1-10-12-14-16-18-20-25-62(40-46(7)32-52,57-36-44(5)30-50)56-34-42(3)23-28-61(27-22-24-60,54-35-43(4)29-49)55-38-48(9)39-59-63(41-47(8)33-53,58-37-45(6)31-51)26-21-19-17-15-13-11-2/h42-53,60H,10-41H2,1-9H3.
What are the key properties of 3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol?
3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol has a molecular weight of 973.67 g/mol, XLogP of 10.26, 47 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-3-methylbutyl]-[3-[(3-hydroxy-2-methylpropoxy)-(3-hydroxy-2-methylpropyl)-octylsilyl]oxy-2-methylpropoxy]-(3-sulfanylpropyl)silyl]oxy-2-methylpropan-1-ol is sourced from PubChem (CID 87375396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).