1-hex-1-en-2-ylperoxyhexane

C12H24O2 — CID 59929364

IUPAC1-hex-1-en-2-ylperoxyhexane
SMILESC=C(CCCC)OOCCCCCC
InChIInChI=1S/C12H24O2/c1-4-6-8-9-11-13-14-12(3)10-7-5-2/h3-11H2,1-2H3
InChIKeyYLGYKMMDNBMMHW-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.22
Rot. Bonds10

About 1-hex-1-en-2-ylperoxyhexane

1-hex-1-en-2-ylperoxyhexane (PubChem CID 59929364) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-hex-1-en-2-ylperoxyhexane.

Molecular Properties

Compound Name1-hex-1-en-2-ylperoxyhexane
PubChem CID59929364
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-hex-1-en-2-ylperoxyhexane
SMILESC=C(CCCC)OOCCCCCC
InChIInChI=1S/C12H24O2/c1-4-6-8-9-11-13-14-12(3)10-7-5-2/h3-11H2,1-2H3
InChIKeyYLGYKMMDNBMMHW-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

1-oct-1-en-2-yloxydodecane
CID 58247133
1-octylperoxynonane
CID 151564626
octadecyl octadecaneperoxoate
CID 139705570
2-henicos-1-en-2-yloxyhenicos-1-ene
CID 19992658
1-(5-bromopent-1-en-2-yloxy)pentadecane
CID 88529560
2-methoxyicos-1-ene
CID 175283491
1-but-1-en-2-yloxyhexane
CID 57257919
hexyl propaneperoxoate
CID 21270826
2-nonylperoxy-2-oxoacetic acid
CID 175494267
heptadecyl carbamoperoxoate
CID 90932133
octadecoxy carbonochloridate
CID 155797318
2-icos-1-en-2-yloxyethanol
CID 141375140

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-en-2-ylperoxyhexane?
The IUPAC name of 1-hex-1-en-2-ylperoxyhexane (CID 59929364) is 1-hex-1-en-2-ylperoxyhexane.
What is the SMILES notation for 1-hex-1-en-2-ylperoxyhexane?
The canonical SMILES for 1-hex-1-en-2-ylperoxyhexane is C=C(CCCC)OOCCCCCC.
What is the InChIKey of 1-hex-1-en-2-ylperoxyhexane?
The InChIKey is YLGYKMMDNBMMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-6-8-9-11-13-14-12(3)10-7-5-2/h3-11H2,1-2H3.
What are the key properties of 1-hex-1-en-2-ylperoxyhexane?
1-hex-1-en-2-ylperoxyhexane has a molecular weight of 200.32 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-en-2-ylperoxyhexane is sourced from PubChem (CID 59929364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).