ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene

C16H28O4 — CID 175241821

IUPACethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene
SMILESC=CCC(CCCC)OO.CCc1ccccc1.OO
InChIInChI=1S/C8H16O2.C8H10.H2O2/c1-3-5-7-8(10-9)6-4-2;1-2-8-6-4-3-5-7-8;1-2/h4,8-9H,2-3,5-7H2,1H3;3-7H,2H2,1H3;1-2H
InChIKeyJZHQGJUIJBNEGQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.88
Rot. Bonds7

About ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene

ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene (PubChem CID 175241821) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene.

Molecular Properties

Compound Nameethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene
PubChem CID175241821
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Nameethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene
SMILESC=CCC(CCCC)OO.CCc1ccccc1.OO
InChIInChI=1S/C8H16O2.C8H10.H2O2/c1-3-5-7-8(10-9)6-4-2;1-2-8-6-4-3-5-7-8;1-2/h4,8-9H,2-3,5-7H2,1H3;3-7H,2H2,1H3;1-2H
InChIKeyJZHQGJUIJBNEGQ-UHFFFAOYSA-N
XLogP4.88
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[oct-1-en-4-yloxy(diphenyl)methyl]benzene
CID 70568043
(2-methoxy-2-non-1-en-4-yloxyethyl)benzene
CID 100992819
[(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate
CID 25105662
oct-1-en-4-ylbenzene
CID 22247233
hexakis(decane);ethylbenzene
CID 173398562
3-prop-2-enylnonadecylbenzene
CID 173349260
[(4R)-pentadec-1-en-4-yl] (2R)-2-acetyloxy-2-phenylacetate
CID 10001182
oct-1-en-4-yloxymethanedithioic acid
CID 88696444
ethane;ethylbenzene;N-methyl-2-methylidenebut-3-en-1-amine;pentane
CID 144677140
(5R)-7-phenyldec-9-en-5-ol
CID 134965025
[(3R)-3-pent-4-enoxyhex-5-enyl]benzene
CID 134882651
ethylbenzene;(3Z)-5-methylideneocta-1,3-diene
CID 142937087

Frequently Asked Questions

What is the IUPAC name of ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene?
The IUPAC name of ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene (CID 175241821) is ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene.
What is the SMILES notation for ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene?
The canonical SMILES for ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene is C=CCC(CCCC)OO.CCc1ccccc1.OO.
What is the InChIKey of ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene?
The InChIKey is JZHQGJUIJBNEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C8H10.H2O2/c1-3-5-7-8(10-9)6-4-2;1-2-8-6-4-3-5-7-8;1-2/h4,8-9H,2-3,5-7H2,1H3;3-7H,2H2,1H3;1-2H.
What are the key properties of ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene?
ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene has a molecular weight of 284.40 g/mol, XLogP of 4.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene is sourced from PubChem (CID 175241821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).