CID 178078654

C22H45O3Si — CID 178078654

IUPAC—
SMILESCCCCCCCCCCCCCCCCCCOOOCCCC[Si]
InChIInChI=1S/C22H45O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-25-24-21-18-19-22-26/h2-22H2,1H3
InChIKeyORSDTYFAPREJIO-UHFFFAOYSA-N
MW385.69 g/mol
LogP7.49
Rot. Bonds23

About CID 178078654

CID 178078654 (PubChem CID 178078654) has the molecular formula C22H45O3Si and a molecular weight of 385.69 g/mol.

Molecular Properties

Compound NameCID 178078654
PubChem CID178078654
Molecular FormulaC22H45O3Si
Molecular Weight385.69 g/mol
Exact Mass385.31
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCCOOOCCCC[Si]
InChIInChI=1S/C22H45O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-25-24-21-18-19-22-26/h2-22H2,1H3
InChIKeyORSDTYFAPREJIO-UHFFFAOYSA-N
XLogP7.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.69
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-butoxyperoxynonane
CID 90110144
1-propoxyperoxyundecane
CID 90109462
1-butylperoxyperoxynonane
CID 90169675
CID 172554263
CID 172554263
1-propylperoxyperoxydodecane
CID 90108856
1-octylperoxynonane
CID 151564626
4-(4-decoxyperoxybutoxy)butan-1-amine
CID 87469347
1-pentylperoxypentane;sulfane
CID 174916685
1-(trioxidanylperoxyperoxy)hexadecane
CID 141273447
1-methylperoxydecane
CID 20726912
1-methylperoxydocosane
CID 173387093
1-hydroperoxyperoxy-22-pentoxydocosane
CID 118460849

Frequently Asked Questions

What is the IUPAC name of CID 178078654?
The IUPAC name of CID 178078654 (CID 178078654) is not available.
What is the SMILES notation for CID 178078654?
The canonical SMILES for CID 178078654 is CCCCCCCCCCCCCCCCCCOOOCCCC[Si].
What is the InChIKey of CID 178078654?
The InChIKey is ORSDTYFAPREJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45O3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-25-24-21-18-19-22-26/h2-22H2,1H3.
What are the key properties of CID 178078654?
CID 178078654 has a molecular weight of 385.69 g/mol, XLogP of 7.49, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178078654 is sourced from PubChem (CID 178078654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).