hydrogen peroxide;2-methyldodecylbenzene

C19H34O2 — CID 159185106

IUPAChydrogen peroxide;2-methyldodecylbenzene
SMILESCCCCCCCCCCC(C)Cc1ccccc1.OO
InChIInChI=1S/C19H32.H2O2/c1-3-4-5-6-7-8-9-11-14-18(2)17-19-15-12-10-13-16-19;1-2/h10,12-13,15-16,18H,3-9,11,14,17H2,1-2H3;1-2H
InChIKeyKNJRVOWGRUCFAD-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.41
Rot. Bonds11

About hydrogen peroxide;2-methyldodecylbenzene

hydrogen peroxide;2-methyldodecylbenzene (PubChem CID 159185106) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is hydrogen peroxide;2-methyldodecylbenzene.

Molecular Properties

Compound Namehydrogen peroxide;2-methyldodecylbenzene
PubChem CID159185106
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Namehydrogen peroxide;2-methyldodecylbenzene
SMILESCCCCCCCCCCC(C)Cc1ccccc1.OO
InChIInChI=1S/C19H32.H2O2/c1-3-4-5-6-7-8-9-11-14-18(2)17-19-15-12-10-13-16-19;1-2/h10,12-13,15-16,18H,3-9,11,14,17H2,1-2H3;1-2H
InChIKeyKNJRVOWGRUCFAD-UHFFFAOYSA-N
XLogP6.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

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N,N-dimethyl-1-phenyltricosan-2-amine
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2-benzyloctadecan-1-ol
CID 67814123
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
5-(2-methyl-3-phenylpropyl)octadecanoic acid
CID 70489744

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;2-methyldodecylbenzene?
The IUPAC name of hydrogen peroxide;2-methyldodecylbenzene (CID 159185106) is hydrogen peroxide;2-methyldodecylbenzene.
What is the SMILES notation for hydrogen peroxide;2-methyldodecylbenzene?
The canonical SMILES for hydrogen peroxide;2-methyldodecylbenzene is CCCCCCCCCCC(C)Cc1ccccc1.OO.
What is the InChIKey of hydrogen peroxide;2-methyldodecylbenzene?
The InChIKey is KNJRVOWGRUCFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32.H2O2/c1-3-4-5-6-7-8-9-11-14-18(2)17-19-15-12-10-13-16-19;1-2/h10,12-13,15-16,18H,3-9,11,14,17H2,1-2H3;1-2H.
What are the key properties of hydrogen peroxide;2-methyldodecylbenzene?
hydrogen peroxide;2-methyldodecylbenzene has a molecular weight of 294.48 g/mol, XLogP of 6.41, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;2-methyldodecylbenzene is sourced from PubChem (CID 159185106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).