ethanol;1-ethenoxyperoxy-4-octylbenzene

C18H30O4 — CID 159380677

IUPACethanol;1-ethenoxyperoxy-4-octylbenzene
SMILESC=COOOc1ccc(CCCCCCCC)cc1.CCO
InChIInChI=1S/C16H24O3.C2H6O/c1-3-5-6-7-8-9-10-15-11-13-16(14-12-15)18-19-17-4-2;1-2-3/h4,11-14H,2-3,5-10H2,1H3;3H,2H2,1H3
InChIKeyLKWBSVPTYFCJGB-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.97
Rot. Bonds11

About ethanol;1-ethenoxyperoxy-4-octylbenzene

ethanol;1-ethenoxyperoxy-4-octylbenzene (PubChem CID 159380677) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is ethanol;1-ethenoxyperoxy-4-octylbenzene.

Molecular Properties

Compound Nameethanol;1-ethenoxyperoxy-4-octylbenzene
PubChem CID159380677
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Nameethanol;1-ethenoxyperoxy-4-octylbenzene
SMILESC=COOOc1ccc(CCCCCCCC)cc1.CCO
InChIInChI=1S/C16H24O3.C2H6O/c1-3-5-6-7-8-9-10-15-11-13-16(14-12-15)18-19-17-4-2;1-2-3/h4,11-14H,2-3,5-10H2,1H3;3H,2H2,1H3
InChIKeyLKWBSVPTYFCJGB-UHFFFAOYSA-N
XLogP4.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethenoxyperoxy-4-nonylbenzene
CID 154137705
1-dodecyl-4-ethenoxybenzene
CID 174857999
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
[4-(4-octylphenyl)phenyl] prop-2-enoate
CID 20751952
1-butyl-4-nonylbenzene
CID 59545302
1-but-3-enyl-4-hexylbenzene
CID 91077567
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-hexoxy-4-pentylbenzene
CID 54277450
CID 59959489
CID 59959489
1-hexyl-4-prop-2-enylbenzene
CID 91099375
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-oct-7-enylbenzene
CID 91553239

Frequently Asked Questions

What is the IUPAC name of ethanol;1-ethenoxyperoxy-4-octylbenzene?
The IUPAC name of ethanol;1-ethenoxyperoxy-4-octylbenzene (CID 159380677) is ethanol;1-ethenoxyperoxy-4-octylbenzene.
What is the SMILES notation for ethanol;1-ethenoxyperoxy-4-octylbenzene?
The canonical SMILES for ethanol;1-ethenoxyperoxy-4-octylbenzene is C=COOOc1ccc(CCCCCCCC)cc1.CCO.
What is the InChIKey of ethanol;1-ethenoxyperoxy-4-octylbenzene?
The InChIKey is LKWBSVPTYFCJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3.C2H6O/c1-3-5-6-7-8-9-10-15-11-13-16(14-12-15)18-19-17-4-2;1-2-3/h4,11-14H,2-3,5-10H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;1-ethenoxyperoxy-4-octylbenzene?
ethanol;1-ethenoxyperoxy-4-octylbenzene has a molecular weight of 310.43 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1-ethenoxyperoxy-4-octylbenzene is sourced from PubChem (CID 159380677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).