3-hydroperoxyperoxytetradecane

C14H30O4 — CID 140639805

IUPAC3-hydroperoxyperoxytetradecane
SMILESCCCCCCCCCCCC(CC)OOOO
InChIInChI=1S/C14H30O4/c1-3-5-6-7-8-9-10-11-12-13-14(4-2)16-18-17-15/h14-15H,3-13H2,1-2H3
InChIKeyGSBOUAUJQLKAFL-UHFFFAOYSA-N
MW262.39 g/mol
LogP5.04
Rot. Bonds14

About 3-hydroperoxyperoxytetradecane

3-hydroperoxyperoxytetradecane (PubChem CID 140639805) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 3-hydroperoxyperoxytetradecane.

Molecular Properties

Compound Name3-hydroperoxyperoxytetradecane
PubChem CID140639805
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name3-hydroperoxyperoxytetradecane
SMILESCCCCCCCCCCCC(CC)OOOO
InChIInChI=1S/C14H30O4/c1-3-5-6-7-8-9-10-11-12-13-14(4-2)16-18-17-15/h14-15H,3-13H2,1-2H3
InChIKeyGSBOUAUJQLKAFL-UHFFFAOYSA-N
XLogP5.04
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.39
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-hydroperoxyperoxyundecane
CID 141347874
3-ethoxyperoxypentadecane
CID 90109501
3-ethylperoxyperoxytridecane
CID 90108380
3-hydroperoxyoctane
CID 22268892
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
4-(trioxidanyl)undecane
CID 140639892
3-ethoxyperoxydecane;1-ethoxyperoxydodecane;3-ethoxyperoxydodecane;3-ethoxyperoxynonane;3-ethoxyperoxyoctane;1-ethoxyperoxytridecane;1-ethoxyperoxyundecane;3-ethoxyperoxyundecane
CID 174798806
3-octan-3-yloxyoctane;phosphoric acid
CID 118002382
octadecan-3-yl dihydrogen phosphite
CID 87219240
didecan-3-yl hydrogen phosphate
CID 22497654
dotriacontan-16-yl dihydrogen phosphate
CID 87532136

Frequently Asked Questions

What is the IUPAC name of 3-hydroperoxyperoxytetradecane?
The IUPAC name of 3-hydroperoxyperoxytetradecane (CID 140639805) is 3-hydroperoxyperoxytetradecane.
What is the SMILES notation for 3-hydroperoxyperoxytetradecane?
The canonical SMILES for 3-hydroperoxyperoxytetradecane is CCCCCCCCCCCC(CC)OOOO.
What is the InChIKey of 3-hydroperoxyperoxytetradecane?
The InChIKey is GSBOUAUJQLKAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-3-5-6-7-8-9-10-11-12-13-14(4-2)16-18-17-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 3-hydroperoxyperoxytetradecane?
3-hydroperoxyperoxytetradecane has a molecular weight of 262.39 g/mol, XLogP of 5.04, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroperoxyperoxytetradecane is sourced from PubChem (CID 140639805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).