dodecylperoxymethylbenzene

C19H32O2 — CID 88509810

IUPACdodecylperoxymethylbenzene
SMILESCCCCCCCCCCCCOOCc1ccccc1
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-20-21-18-19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3
InChIKeyNEOLHXKUZLMULB-UHFFFAOYSA-N
MW292.46 g/mol
LogP6.06
Rot. Bonds14

About dodecylperoxymethylbenzene

dodecylperoxymethylbenzene (PubChem CID 88509810) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is dodecylperoxymethylbenzene.

Molecular Properties

Compound Namedodecylperoxymethylbenzene
PubChem CID88509810
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Namedodecylperoxymethylbenzene
SMILESCCCCCCCCCCCCOOCc1ccccc1
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-20-21-18-19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3
InChIKeyNEOLHXKUZLMULB-UHFFFAOYSA-N
XLogP6.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
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

2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
azane;hexoxymethylbenzene
CID 174805489
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681
phenoxymethylbenzene;tetradecane
CID 175006528
benzyl hexyl hydrogen phosphite
CID 174676176
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689
benzyl tridecyl sulfate
CID 169195796
benzyl dodecyl hydrogen phosphite
CID 161198417
icos-13-ynoxymethylbenzene
CID 134976299

Frequently Asked Questions

What is the IUPAC name of dodecylperoxymethylbenzene?
The IUPAC name of dodecylperoxymethylbenzene (CID 88509810) is dodecylperoxymethylbenzene.
What is the SMILES notation for dodecylperoxymethylbenzene?
The canonical SMILES for dodecylperoxymethylbenzene is CCCCCCCCCCCCOOCc1ccccc1.
What is the InChIKey of dodecylperoxymethylbenzene?
The InChIKey is NEOLHXKUZLMULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-20-21-18-19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3.
What are the key properties of dodecylperoxymethylbenzene?
dodecylperoxymethylbenzene has a molecular weight of 292.46 g/mol, XLogP of 6.06, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylperoxymethylbenzene is sourced from PubChem (CID 88509810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).