3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane

C40H80O2Si2 — CID 172791199

IUPAC3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane
SMILESCCCCCC[SiH](CCCCCC)CCCOC12CC3CC(C1)CC(OCCC[SiH](CCCCCC)CCCCCC)(C3)C2
InChIInChI=1S/C40H80O2Si2/c1-5-9-13-17-25-43(26-18-14-10-6-2)29-21-23-41-39-32-37-31-38(33-39)35-40(34-37,36-39)42-24-22-30-44(27-19-15-11-7-3)28-20-16-12-8-4/h37-38,43-44H,5-36H2,1-4H3
InChIKeyPOZLDTHSTUQVLQ-UHFFFAOYSA-N
MW649.25 g/mol
LogP12.67
Rot. Bonds30

About 3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane

3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane (PubChem CID 172791199) has the molecular formula C40H80O2Si2 and a molecular weight of 649.25 g/mol. Its IUPAC name is 3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane.

Molecular Properties

Compound Name3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane
PubChem CID172791199
Molecular FormulaC40H80O2Si2
Molecular Weight649.25 g/mol
Exact Mass648.57
IUPAC Name3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane
SMILESCCCCCC[SiH](CCCCCC)CCCOC12CC3CC(C1)CC(OCCC[SiH](CCCCCC)CCCCCC)(C3)C2
InChIInChI=1S/C40H80O2Si2/c1-5-9-13-17-25-43(26-18-14-10-6-2)29-21-23-41-39-32-37-31-38(33-39)35-40(34-37,36-39)42-24-22-30-44(27-19-15-11-7-3)28-20-16-12-8-4/h37-38,43-44H,5-36H2,1-4H3
InChIKeyPOZLDTHSTUQVLQ-UHFFFAOYSA-N
XLogP12.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.25
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(butoxymethoxy)adamantane
CID 11310968
2-(1-adamantyloxy)ethyl-dodecyl-dimethylazanium bromide
CID 70602461
2-[(3-ethyl-1-adamantyl)oxy]ethanol
CID 53216180
heptadecyl(dioctyl)silane
CID 173389450
dibutyl(hexyl)silane
CID 123774823
hydron;trihexylsilane
CID 175247078
butyl-di(nonyl)silane
CID 174773592
N-(1-adamantyloxy)-N-ethyl-2-methylpentadecan-2-amine;hydrobromide
CID 173445402
2,2-difluoropropyl 3-butoxyadamantane-1-carboxylate;2,2-difluoropropyl 3-ethoxyadamantane-1-carboxylate
CID 123259647
1-hexyladamantane
CID 585171
[3,5-bis(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-(butoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;[3-(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate;[3,5,7-tris(propoxymethoxy)-1-adamantyl] 2,2-dimethylbutanoate
CID 159704404
3-[6-(3-butyloxetan-3-yl)hexoxy]-3-[3-[6-(3-butyloxetan-3-yl)hexoxy]-1-adamantyl]-2-methylprop-2-enoic acid
CID 68635926

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane?
The IUPAC name of 3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane (CID 172791199) is 3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane.
What is the SMILES notation for 3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane?
The canonical SMILES for 3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane is CCCCCC[SiH](CCCCCC)CCCOC12CC3CC(C1)CC(OCCC[SiH](CCCCCC)CCCCCC)(C3)C2.
What is the InChIKey of 3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane?
The InChIKey is POZLDTHSTUQVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H80O2Si2/c1-5-9-13-17-25-43(26-18-14-10-6-2)29-21-23-41-39-32-37-31-38(33-39)35-40(34-37,36-39)42-24-22-30-44(27-19-15-11-7-3)28-20-16-12-8-4/h37-38,43-44H,5-36H2,1-4H3.
What are the key properties of 3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane?
3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane has a molecular weight of 649.25 g/mol, XLogP of 12.67, 30 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-dihexylsilylpropoxy)-1-adamantyl]oxy]propyl-dihexylsilane is sourced from PubChem (CID 172791199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).