18-hydroperoxyoctadeca-6,9-diene

C18H34O2 — CID 54146645

IUPAC18-hydroperoxyoctadeca-6,9-diene
SMILESCCCCCC=CCC=CCCCCCCCCOO
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3
InChIKeyOEVYLQFQIZWPQG-UHFFFAOYSA-N
MW282.47 g/mol
LogP6.29
Rot. Bonds15

About 18-hydroperoxyoctadeca-6,9-diene

18-hydroperoxyoctadeca-6,9-diene (PubChem CID 54146645) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 18-hydroperoxyoctadeca-6,9-diene.

Molecular Properties

Compound Name18-hydroperoxyoctadeca-6,9-diene
PubChem CID54146645
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name18-hydroperoxyoctadeca-6,9-diene
SMILESCCCCCC=CCC=CCCCCCCCCOO
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3
InChIKeyOEVYLQFQIZWPQG-UHFFFAOYSA-N
XLogP6.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-hydroperoxydec-5-ene
CID 91009595
(6Z,9Z)-nonadeca-6,9-diene
CID 14701065
hexatriaconta-6,9,12,24,27,30-hexaene
CID 54437867
(6Z,9Z)-pentacosa-6,9-diene
CID 56936115
1-icosa-5,8,11,14-tetraenoxyicosa-5,8,11,14-tetraene
CID 54078001
4-[(9Z,12Z)-octadeca-9,12-dienoxy]butan-1-ol
CID 138620632
octadeca-9,12-dienyl octadecyl carbonate
CID 54353662
decyl octadeca-9,12-dienyl carbonate
CID 54461571
tris[(9Z,12Z)-octadeca-9,12-dienyl] phosphite
CID 88726747
(4Z,7Z)-hexadeca-4,7-diene
CID 140664011
[(9Z,12E)-octadeca-9,12-dienyl] acetate
CID 124514536
heptadeca-5,8,11-triene
CID 54101473

Frequently Asked Questions

What is the IUPAC name of 18-hydroperoxyoctadeca-6,9-diene?
The IUPAC name of 18-hydroperoxyoctadeca-6,9-diene (CID 54146645) is 18-hydroperoxyoctadeca-6,9-diene.
What is the SMILES notation for 18-hydroperoxyoctadeca-6,9-diene?
The canonical SMILES for 18-hydroperoxyoctadeca-6,9-diene is CCCCCC=CCC=CCCCCCCCCOO.
What is the InChIKey of 18-hydroperoxyoctadeca-6,9-diene?
The InChIKey is OEVYLQFQIZWPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3.
What are the key properties of 18-hydroperoxyoctadeca-6,9-diene?
18-hydroperoxyoctadeca-6,9-diene has a molecular weight of 282.47 g/mol, XLogP of 6.29, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroperoxyoctadeca-6,9-diene is sourced from PubChem (CID 54146645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).