CID 21105862

C50H102Si — CID 21105862

IUPAC—
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC[Si]CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H102Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-50H2,1-2H3
InChIKeyNCJPFNZQKZZJCS-UHFFFAOYSA-N
MW731.45 g/mol
LogP19.51
Rot. Bonds48

About CID 21105862

CID 21105862 (PubChem CID 21105862) has the molecular formula C50H102Si and a molecular weight of 731.45 g/mol.

Molecular Properties

Compound NameCID 21105862
PubChem CID21105862
Molecular FormulaC50H102Si
Molecular Weight731.45 g/mol
Exact Mass730.78
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC[Si]CCCCCCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C50H102Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-50H2,1-2H3
InChIKeyNCJPFNZQKZZJCS-UHFFFAOYSA-N
XLogP19.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds48
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.45
LogP ≤ 519.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

CID 21113435
CID 21113435
Dibutylsilane
CID 6330319
Hexylmethylsilane
CID 10855484
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of CID 21105862?
The IUPAC name of CID 21105862 (CID 21105862) is not available.
What is the SMILES notation for CID 21105862?
The canonical SMILES for CID 21105862 is CCCCCCCCCCCCCCCCCCCCCCCCC[Si]CCCCCCCCCCCCCCCCCCCCCCCCC.
What is the InChIKey of CID 21105862?
The InChIKey is NCJPFNZQKZZJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H102Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-50H2,1-2H3.
What are the key properties of CID 21105862?
CID 21105862 has a molecular weight of 731.45 g/mol, XLogP of 19.51, 48 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21105862 is sourced from PubChem (CID 21105862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).