1-hydroperoxyundec-1-ene

C11H22O2 — CID 140553152

IUPAC1-hydroperoxyundec-1-ene
SMILESCCCCCCCCCC=COO
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11-13-12/h10-12H,2-9H2,1H3
InChIKeyJMHHAFPWNOYUQR-UHFFFAOYSA-N
MW186.29 g/mol
LogP4.13
Rot. Bonds9

About 1-hydroperoxyundec-1-ene

1-hydroperoxyundec-1-ene (PubChem CID 140553152) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-hydroperoxyundec-1-ene.

Molecular Properties

Compound Name1-hydroperoxyundec-1-ene
PubChem CID140553152
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-hydroperoxyundec-1-ene
SMILESCCCCCCCCCC=COO
InChIInChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11-13-12/h10-12H,2-9H2,1H3
InChIKeyJMHHAFPWNOYUQR-UHFFFAOYSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
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-triacont-1-enoxytriacont-1-ene
CID 173373575
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
(Z)-1-methoxydec-1-ene
CID 10888349
(E)-1-methoxyoct-1-ene
CID 10964624
(E)-1-methoxytridec-1-ene
CID 87204968
1-ethoxyundec-1-ene
CID 71331710
1-ethoxytridec-1-ene
CID 173032013
oct-1-enyl hypoiodite
CID 88820135
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102

Frequently Asked Questions

What is the IUPAC name of 1-hydroperoxyundec-1-ene?
The IUPAC name of 1-hydroperoxyundec-1-ene (CID 140553152) is 1-hydroperoxyundec-1-ene.
What is the SMILES notation for 1-hydroperoxyundec-1-ene?
The canonical SMILES for 1-hydroperoxyundec-1-ene is CCCCCCCCCC=COO.
What is the InChIKey of 1-hydroperoxyundec-1-ene?
The InChIKey is JMHHAFPWNOYUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11-13-12/h10-12H,2-9H2,1H3.
What are the key properties of 1-hydroperoxyundec-1-ene?
1-hydroperoxyundec-1-ene has a molecular weight of 186.29 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroperoxyundec-1-ene is sourced from PubChem (CID 140553152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).