1-hydroperoxydec-5-ene

C10H20O2 — CID 91009595

IUPAC1-hydroperoxydec-5-ene
SMILESCCCCC=CCCCCOO
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10-12-11/h5-6,11H,2-4,7-10H2,1H3
InChIKeyCULOMBSAOZSPSS-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.39
Rot. Bonds8

About 1-hydroperoxydec-5-ene

1-hydroperoxydec-5-ene (PubChem CID 91009595) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-hydroperoxydec-5-ene.

Molecular Properties

Compound Name1-hydroperoxydec-5-ene
PubChem CID91009595
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-hydroperoxydec-5-ene
SMILESCCCCC=CCCCCOO
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10-12-11/h5-6,11H,2-4,7-10H2,1H3
InChIKeyCULOMBSAOZSPSS-UHFFFAOYSA-N
XLogP3.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.39
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

18-hydroperoxyoctadeca-6,9-diene
CID 54146645
1-hydroperoxyheptadecane
CID 123893325
(Z)-13-propoxytridec-5-ene
CID 87204974
(Z)-13-ethoxytridec-5-ene
CID 87205027
[(Z)-dec-5-enyl] acetate
CID 5363513
magnesium;hydride;1-hydroperoxypentane
CID 175424420
docos-5-ene
CID 54227700
pentadeca-4,10-diene
CID 54306056
nonadec-5-ene
CID 543596
[(Z)-tridec-8-enyl] acetate
CID 10014538
[(Z)-octadec-13-enyl] acetate
CID 5363293
dec-5-ene;trihydrobromide
CID 175802238

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxydec-5-ene?
The IUPAC name of 1-hydroperoxydec-5-ene (CID 91009595) is 1-hydroperoxydec-5-ene.
What is the SMILES notation for 1-hydroperoxydec-5-ene?
The canonical SMILES for 1-hydroperoxydec-5-ene is CCCCC=CCCCCOO.
What is the InChIKey of 1-hydroperoxydec-5-ene?
The InChIKey is CULOMBSAOZSPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10-12-11/h5-6,11H,2-4,7-10H2,1H3.
What are the key properties of 1-hydroperoxydec-5-ene?
1-hydroperoxydec-5-ene has a molecular weight of 172.27 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxydec-5-ene is sourced from PubChem (CID 91009595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).