undec-9-eneperoxoic acid

C11H20O3 — CID 118610001

IUPACundec-9-eneperoxoic acid
SMILESCC=CCCCCCCCC(=O)OO
InChIInChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-9-10-11(12)14-13/h2-3,13H,4-10H2,1H3
InChIKeyGAVLOSSULYDFRN-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.31
Rot. Bonds8

About undec-9-eneperoxoic acid

undec-9-eneperoxoic acid (PubChem CID 118610001) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is undec-9-eneperoxoic acid.

Molecular Properties

Compound Nameundec-9-eneperoxoic acid
PubChem CID118610001
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameundec-9-eneperoxoic acid
SMILESCC=CCCCCCCCC(=O)OO
InChIInChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-9-10-11(12)14-13/h2-3,13H,4-10H2,1H3
InChIKeyGAVLOSSULYDFRN-UHFFFAOYSA-N
XLogP3.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
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

[(E)-pent-3-enyl] (E)-undec-9-enoate
CID 155355570
hex-4-enyl (E)-non-7-enoate
CID 155355569
pent-3-enyl (E)-dodec-10-enoate
CID 155355573
(2Z,19Z)-henicosa-2,19-dien-11-one
CID 170029762
2-hydroxyethyl (Z)-undec-9-enoate
CID 89085780
dec-9-eneperoxoic acid
CID 177164421
(2-hydroxy-3-undec-9-enoyloxypropyl) undec-9-enoate
CID 146171532
butyl (E)-pentadec-13-enoate
CID 88959332
butyl (E)-dodec-10-enoate
CID 88959354
(Z)-non-7-enamide
CID 5365368
[(E)-hept-5-enyl] heptacosanoate
CID 102118801
dimethyl (E)-triacont-15-enedioate
CID 10767955

Frequently Asked Questions

What is the IUPAC name of undec-9-eneperoxoic acid?
The IUPAC name of undec-9-eneperoxoic acid (CID 118610001) is undec-9-eneperoxoic acid.
What is the SMILES notation for undec-9-eneperoxoic acid?
The canonical SMILES for undec-9-eneperoxoic acid is CC=CCCCCCCCC(=O)OO.
What is the InChIKey of undec-9-eneperoxoic acid?
The InChIKey is GAVLOSSULYDFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-9-10-11(12)14-13/h2-3,13H,4-10H2,1H3.
What are the key properties of undec-9-eneperoxoic acid?
undec-9-eneperoxoic acid has a molecular weight of 200.28 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undec-9-eneperoxoic acid is sourced from PubChem (CID 118610001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).