undecanoyloxy undecaneperoxoate

C22H42O5 — CID 88844001

IUPACundecanoyloxy undecaneperoxoate
SMILESCCCCCCCCCCC(=O)OOOC(=O)CCCCCCCCCC
InChIInChI=1S/C22H42O5/c1-3-5-7-9-11-13-15-17-19-21(23)25-27-26-22(24)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyUGZNTQRVVWJFDM-UHFFFAOYSA-N
MW386.57 g/mol
LogP6.98
Rot. Bonds20

About undecanoyloxy undecaneperoxoate

undecanoyloxy undecaneperoxoate (PubChem CID 88844001) has the molecular formula C22H42O5 and a molecular weight of 386.57 g/mol. Its IUPAC name is undecanoyloxy undecaneperoxoate.

Molecular Properties

Compound Nameundecanoyloxy undecaneperoxoate
PubChem CID88844001
Molecular FormulaC22H42O5
Molecular Weight386.57 g/mol
Exact Mass386.30
IUPAC Nameundecanoyloxy undecaneperoxoate
SMILESCCCCCCCCCCC(=O)OOOC(=O)CCCCCCCCCC
InChIInChI=1S/C22H42O5/c1-3-5-7-9-11-13-15-17-19-21(23)25-27-26-22(24)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChIKeyUGZNTQRVVWJFDM-UHFFFAOYSA-N
XLogP6.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.57
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

heptadecanoyl heptadecaneperoxoate
CID 53438513
heptanoyl octaneperoxoate
CID 142686679
octanoyl tridecaneperoxoate
CID 141014591
butanoyl octaneperoxoate
CID 155389347
propanoyl dodecaneperoxoate
CID 88596729
dodecanoyl dodecaneperoxoate;propan-2-ol
CID 174989441
amino nonaneperoxoate
CID 174849727
acetyl ethaneperoxoate;decanoyl decaneperoxoate;dodecanoyl dodecaneperoxoate
CID 159864612
acetyl decaneperoxoate
CID 18943120
stibanyl heptanoate
CID 174839221
octadecyl octadecaneperoxoate
CID 139705570
octadecanoyl octadecaneperoxoate;1-octoxydodecane
CID 175159083

Frequently Asked Questions

What is the IUPAC name of undecanoyloxy undecaneperoxoate?
The IUPAC name of undecanoyloxy undecaneperoxoate (CID 88844001) is undecanoyloxy undecaneperoxoate.
What is the SMILES notation for undecanoyloxy undecaneperoxoate?
The canonical SMILES for undecanoyloxy undecaneperoxoate is CCCCCCCCCCC(=O)OOOC(=O)CCCCCCCCCC.
What is the InChIKey of undecanoyloxy undecaneperoxoate?
The InChIKey is UGZNTQRVVWJFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O5/c1-3-5-7-9-11-13-15-17-19-21(23)25-27-26-22(24)20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3.
What are the key properties of undecanoyloxy undecaneperoxoate?
undecanoyloxy undecaneperoxoate has a molecular weight of 386.57 g/mol, XLogP of 6.98, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for undecanoyloxy undecaneperoxoate is sourced from PubChem (CID 88844001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).