6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane

C44H90OSi — CID 174913830

IUPAC6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane
SMILESCCCCCCCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCC)CCC[Si](C)(C)O1
InChIInChI=1S/C44H90OSi/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-41-44(42-39-43-46(3,4)45-44)40-37-35-33-31-29-27-20-18-16-14-12-10-8-6-2/h5-43H2,1-4H3
InChIKeySYCIRLXKCALLFZ-UHFFFAOYSA-N
MW663.29 g/mol
LogP16.82
Rot. Bonds36

About 6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane

6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane (PubChem CID 174913830) has the molecular formula C44H90OSi and a molecular weight of 663.29 g/mol. Its IUPAC name is 6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane.

Molecular Properties

Compound Name6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane
PubChem CID174913830
Molecular FormulaC44H90OSi
Molecular Weight663.29 g/mol
Exact Mass662.68
IUPAC Name6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane
SMILESCCCCCCCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCC)CCC[Si](C)(C)O1
InChIInChI=1S/C44H90OSi/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-41-44(42-39-43-46(3,4)45-44)40-37-35-33-31-29-27-20-18-16-14-12-10-8-6-2/h5-43H2,1-4H3
InChIKeySYCIRLXKCALLFZ-UHFFFAOYSA-N
XLogP16.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds36
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.29
LogP ≤ 516.82
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'}

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Related Compounds

3-[6-(3-aminopropyl)-2,2-dimethyloxasilinan-6-yl]propan-1-amine
CID 70257736
6,6-didecyl-2,2,3,3-tetraethyloxadisilinane
CID 67980675
6,6-dihexyloxatellurane
CID 175339145
2-hexadecyl-2-tetradecyloxirane
CID 71421731
2,2-dimethyl-6-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecan-2-yl)-6-octadecyloxasilinane
CID 175132935
2-(chloromethyl)-2-heptyloxirane
CID 86123992
2-hexyl-2-propyloxirane
CID 139691135
4-hexadecyl-2,2,4,5,5,6,6-heptamethyloxasilinane
CID 175000683
1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
1,1,2,2-tetra(undecyl)cyclopentane
CID 18757655
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150

Frequently Asked Questions

What is the IUPAC name of 6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane?
The IUPAC name of 6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane (CID 174913830) is 6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane.
What is the SMILES notation for 6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane?
The canonical SMILES for 6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane is CCCCCCCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCC)CCC[Si](C)(C)O1.
What is the InChIKey of 6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane?
The InChIKey is SYCIRLXKCALLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H90OSi/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-41-44(42-39-43-46(3,4)45-44)40-37-35-33-31-29-27-20-18-16-14-12-10-8-6-2/h5-43H2,1-4H3.
What are the key properties of 6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane?
6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane has a molecular weight of 663.29 g/mol, XLogP of 16.82, 36 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-docosyl-6-hexadecyl-2,2-dimethyloxasilinane is sourced from PubChem (CID 174913830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).