nonyl undec-8-eneperoxoate

C20H38O3 — CID 91244158

IUPACnonyl undec-8-eneperoxoate
SMILESCCC=CCCCCCCC(=O)OOCCCCCCCCC
InChIInChI=1S/C20H38O3/c1-3-5-7-9-11-12-14-16-18-20(21)23-22-19-17-15-13-10-8-6-4-2/h5,7H,3-4,6,8-19H2,1-2H3
InChIKeyJMUMMDJEQXVODQ-UHFFFAOYSA-N
MW326.52 g/mol
LogP6.52
Rot. Bonds17

About nonyl undec-8-eneperoxoate

nonyl undec-8-eneperoxoate (PubChem CID 91244158) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is nonyl undec-8-eneperoxoate.

Molecular Properties

Compound Namenonyl undec-8-eneperoxoate
PubChem CID91244158
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Namenonyl undec-8-eneperoxoate
SMILESCCC=CCCCCCCC(=O)OOCCCCCCCCC
InChIInChI=1S/C20H38O3/c1-3-5-7-9-11-12-14-16-18-20(21)23-22-19-17-15-13-10-8-6-4-2/h5,7H,3-4,6,8-19H2,1-2H3
InChIKeyJMUMMDJEQXVODQ-UHFFFAOYSA-N
XLogP6.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-oct-5-enyl] pentaneperoxoate
CID 175496452
[(Z)-hept-4-enyl] pentaneperoxoate
CID 175496470
[(E)-oct-2-enyl] hexaneperoxoate
CID 175496356
decyl octadeca-9,12,15-trienoate
CID 54331899
[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl] tetradecanoate
CID 56935933
[(9E,12E)-octadeca-9,12-dienyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CID 91750337
[(9Z,12Z,15Z)-octadeca-9,12,15-trienyl] octadecanoate
CID 56935960
tetracosyl (Z)-icos-11-enoate
CID 72710761
[(Z)-octadec-9-enyl] hexatriacontanoate
CID 168953377
pentacosyl icos-13-enoate
CID 166098592
decyl docos-13-enoate
CID 54397897
octyl (E)-octadec-10-enoate
CID 21291230

Frequently Asked Questions

What is the IUPAC name of nonyl undec-8-eneperoxoate?
The IUPAC name of nonyl undec-8-eneperoxoate (CID 91244158) is nonyl undec-8-eneperoxoate.
What is the SMILES notation for nonyl undec-8-eneperoxoate?
The canonical SMILES for nonyl undec-8-eneperoxoate is CCC=CCCCCCCC(=O)OOCCCCCCCCC.
What is the InChIKey of nonyl undec-8-eneperoxoate?
The InChIKey is JMUMMDJEQXVODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-3-5-7-9-11-12-14-16-18-20(21)23-22-19-17-15-13-10-8-6-4-2/h5,7H,3-4,6,8-19H2,1-2H3.
What are the key properties of nonyl undec-8-eneperoxoate?
nonyl undec-8-eneperoxoate has a molecular weight of 326.52 g/mol, XLogP of 6.52, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl undec-8-eneperoxoate is sourced from PubChem (CID 91244158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).