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

C85H172OSi — CID 22450937

IUPAC2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane
SMILESCCCCCCCCCCC1(CCCCCCCCCC)O[Si](CCCCCCCCCC)(CCCCCCCCCC)C(C)C(CCCCCCCCCC)(CCCCCCCCCC)C1(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C85H172OSi/c1-10-18-26-34-42-50-58-66-74-83(75-67-59-51-43-35-27-19-11-2)82(9)87(80-72-64-56-48-40-32-24-16-7,81-73-65-57-49-41-33-25-17-8)86-85(78-70-62-54-46-38-30-22-14-5,79-71-63-55-47-39-31-23-15-6)84(83,76-68-60-52-44-36-28-20-12-3)77-69-61-53-45-37-29-21-13-4/h82H,10-81H2,1-9H3
InChIKeyPLWNBHKMYQTADX-UHFFFAOYSA-N
MW1238.40 g/mol
LogP32.53
Rot. Bonds72

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

2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane (PubChem CID 22450937) has the molecular formula C85H172OSi and a molecular weight of 1238.40 g/mol. Its IUPAC name is 2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane.

Molecular Properties

Compound Name2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane
PubChem CID22450937
Molecular FormulaC85H172OSi
Molecular Weight1238.40 g/mol
Exact Mass1237.32
IUPAC Name2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane
SMILESCCCCCCCCCCC1(CCCCCCCCCC)O[Si](CCCCCCCCCC)(CCCCCCCCCC)C(C)C(CCCCCCCCCC)(CCCCCCCCCC)C1(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C85H172OSi/c1-10-18-26-34-42-50-58-66-74-83(75-67-59-51-43-35-27-19-11-2)82(9)87(80-72-64-56-48-40-32-24-16-7,81-73-65-57-49-41-33-25-17-8)86-85(78-70-62-54-46-38-30-22-14-5,79-71-63-55-47-39-31-23-15-6)84(83,76-68-60-52-44-36-28-20-12-3)77-69-61-53-45-37-29-21-13-4/h82H,10-81H2,1-9H3
InChIKeyPLWNBHKMYQTADX-UHFFFAOYSA-N
XLogP32.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds72
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001238.40
LogP ≤ 532.53
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 2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane 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 2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane?
The IUPAC name of 2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane (CID 22450937) is 2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane.
What is the SMILES notation for 2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane?
The canonical SMILES for 2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane is CCCCCCCCCCC1(CCCCCCCCCC)O[Si](CCCCCCCCCC)(CCCCCCCCCC)C(C)C(CCCCCCCCCC)(CCCCCCCCCC)C1(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane?
The InChIKey is PLWNBHKMYQTADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H172OSi/c1-10-18-26-34-42-50-58-66-74-83(75-67-59-51-43-35-27-19-11-2)82(9)87(80-72-64-56-48-40-32-24-16-7,81-73-65-57-49-41-33-25-17-8)86-85(78-70-62-54-46-38-30-22-14-5,79-71-63-55-47-39-31-23-15-6)84(83,76-68-60-52-44-36-28-20-12-3)77-69-61-53-45-37-29-21-13-4/h82H,10-81H2,1-9H3.
What are the key properties of 2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane?
2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane has a molecular weight of 1238.40 g/mol, XLogP of 32.53, 72 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,5,5,6,6-octakis-decyl-3-methyloxasilinane is sourced from PubChem (CID 22450937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).