1-hydroperoxyoctadecane

C18H38O2 — CID 15935218

IUPAC1-hydroperoxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOO
InChIInChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h19H,2-18H2,1H3
InChIKeyGLXQGZXPWSXWED-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.74
Rot. Bonds17

About 1-hydroperoxyoctadecane

1-hydroperoxyoctadecane (PubChem CID 15935218) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-hydroperoxyoctadecane.

Molecular Properties

Compound Name1-hydroperoxyoctadecane
PubChem CID15935218
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name1-hydroperoxyoctadecane
SMILESCCCCCCCCCCCCCCCCCCOO
InChIInChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h19H,2-18H2,1H3
InChIKeyGLXQGZXPWSXWED-UHFFFAOYSA-N
XLogP6.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxyoctadecane?
The IUPAC name of 1-hydroperoxyoctadecane (CID 15935218) is 1-hydroperoxyoctadecane.
What is the SMILES notation for 1-hydroperoxyoctadecane?
The canonical SMILES for 1-hydroperoxyoctadecane is CCCCCCCCCCCCCCCCCCOO.
What is the InChIKey of 1-hydroperoxyoctadecane?
The InChIKey is GLXQGZXPWSXWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h19H,2-18H2,1H3.
What are the key properties of 1-hydroperoxyoctadecane?
1-hydroperoxyoctadecane has a molecular weight of 286.50 g/mol, XLogP of 6.74, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxyoctadecane is sourced from PubChem (CID 15935218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).