1-ethenoxyperoxy-4-nonylbenzene

C17H26O3 — CID 154137705

IUPAC1-ethenoxyperoxy-4-nonylbenzene
SMILESC=COOOc1ccc(CCCCCCCCC)cc1
InChIInChI=1S/C17H26O3/c1-3-5-6-7-8-9-10-11-16-12-14-17(15-13-16)19-20-18-4-2/h4,12-15H,2-3,5-11H2,1H3
InChIKeyNMRPESMRMBVJRA-UHFFFAOYSA-N
MW278.39 g/mol
LogP5.37
Rot. Bonds12

About 1-ethenoxyperoxy-4-nonylbenzene

1-ethenoxyperoxy-4-nonylbenzene (PubChem CID 154137705) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-ethenoxyperoxy-4-nonylbenzene.

Molecular Properties

Compound Name1-ethenoxyperoxy-4-nonylbenzene
PubChem CID154137705
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name1-ethenoxyperoxy-4-nonylbenzene
SMILESC=COOOc1ccc(CCCCCCCCC)cc1
InChIInChI=1S/C17H26O3/c1-3-5-6-7-8-9-10-11-16-12-14-17(15-13-16)19-20-18-4-2/h4,12-15H,2-3,5-11H2,1H3
InChIKeyNMRPESMRMBVJRA-UHFFFAOYSA-N
XLogP5.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

ethanol;1-ethenoxyperoxy-4-octylbenzene
CID 159380677
1-dodecyl-4-ethenoxybenzene
CID 174857999
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
1-butyl-4-nonylbenzene
CID 59545302
1-but-3-enyl-4-hexylbenzene
CID 91077567
CID 59959489
CID 59959489
1-hexoxy-4-pentylbenzene
CID 54277450
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-hexyl-4-prop-2-enylbenzene
CID 91099375
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239
1-ethenyl-4-hexylbenzene
CID 21225742

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxyperoxy-4-nonylbenzene?
The IUPAC name of 1-ethenoxyperoxy-4-nonylbenzene (CID 154137705) is 1-ethenoxyperoxy-4-nonylbenzene.
What is the SMILES notation for 1-ethenoxyperoxy-4-nonylbenzene?
The canonical SMILES for 1-ethenoxyperoxy-4-nonylbenzene is C=COOOc1ccc(CCCCCCCCC)cc1.
What is the InChIKey of 1-ethenoxyperoxy-4-nonylbenzene?
The InChIKey is NMRPESMRMBVJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-3-5-6-7-8-9-10-11-16-12-14-17(15-13-16)19-20-18-4-2/h4,12-15H,2-3,5-11H2,1H3.
What are the key properties of 1-ethenoxyperoxy-4-nonylbenzene?
1-ethenoxyperoxy-4-nonylbenzene has a molecular weight of 278.39 g/mol, XLogP of 5.37, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyperoxy-4-nonylbenzene is sourced from PubChem (CID 154137705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).