3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane

C86H174OSi — CID 21391533

IUPAC3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane
SMILESCCCCCCCCCCC1(CCCCCCCCCC)O[Si](C)(C)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C1(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C86H174OSi/c1-11-19-27-35-43-51-59-67-75-83(76-68-60-52-44-36-28-20-12-2)84(77-69-61-53-45-37-29-21-13-3,78-70-62-54-46-38-30-22-14-4)86(81-73-65-57-49-41-33-25-17-7,82-74-66-58-50-42-34-26-18-8)88(9,10)87-85(83,79-71-63-55-47-39-31-23-15-5)80-72-64-56-48-40-32-24-16-6/h11-82H2,1-10H3
InChIKeyCMNNVXDLLMTGRO-UHFFFAOYSA-N
MW1252.42 g/mol
LogP32.92
Rot. Bonds72

About 3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane

3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane (PubChem CID 21391533) has the molecular formula C86H174OSi and a molecular weight of 1252.42 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane
PubChem CID21391533
Molecular FormulaC86H174OSi
Molecular Weight1252.42 g/mol
Exact Mass1251.33
IUPAC Name3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane
SMILESCCCCCCCCCCC1(CCCCCCCCCC)O[Si](C)(C)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C1(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C86H174OSi/c1-11-19-27-35-43-51-59-67-75-83(76-68-60-52-44-36-28-20-12-2)84(77-69-61-53-45-37-29-21-13-3,78-70-62-54-46-38-30-22-14-4)86(81-73-65-57-49-41-33-25-17-7,82-74-66-58-50-42-34-26-18-8)88(9,10)87-85(83,79-71-63-55-47-39-31-23-15-5)80-72-64-56-48-40-32-24-16-6/h11-82H2,1-10H3
InChIKeyCMNNVXDLLMTGRO-UHFFFAOYSA-N
XLogP32.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds72
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001252.42
LogP ≤ 532.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane?
The IUPAC name of 3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane (CID 21391533) is 3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane?
The canonical SMILES for 3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane is CCCCCCCCCCC1(CCCCCCCCCC)O[Si](C)(C)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C1(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane?
The InChIKey is CMNNVXDLLMTGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H174OSi/c1-11-19-27-35-43-51-59-67-75-83(76-68-60-52-44-36-28-20-12-2)84(77-69-61-53-45-37-29-21-13-3,78-70-62-54-46-38-30-22-14-4)86(81-73-65-57-49-41-33-25-17-7,82-74-66-58-50-42-34-26-18-8)88(9,10)87-85(83,79-71-63-55-47-39-31-23-15-5)80-72-64-56-48-40-32-24-16-6/h11-82H2,1-10H3.
What are the key properties of 3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane?
3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane has a molecular weight of 1252.42 g/mol, XLogP of 32.92, 72 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octakis-decyl-2,2-dimethyloxasilinane is sourced from PubChem (CID 21391533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).