cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene

C30H46O2 — CID 174748033

IUPACcyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
SMILESC1CCCCC1.C=C.C=C.C=C.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2.C6H12.3C2H4/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;1-2-4-6-5-3-1;3*1-2/h5-14H,1-4H3;1-6H2;3*1-2H2
InChIKeyLOZAFBKVGGIUDV-UHFFFAOYSA-N
MW438.70 g/mol
LogP9.55
Rot. Bonds5

About cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene

cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene (PubChem CID 174748033) has the molecular formula C30H46O2 and a molecular weight of 438.70 g/mol. Its IUPAC name is cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene.

Molecular Properties

Compound Namecyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
PubChem CID174748033
Molecular FormulaC30H46O2
Molecular Weight438.70 g/mol
Exact Mass438.35
IUPAC Namecyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
SMILESC1CCCCC1.C=C.C=C.C=C.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22O2.C6H12.3C2H4/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;1-2-4-6-5-3-1;3*1-2/h5-14H,1-4H3;1-6H2;3*1-2H2
InChIKeyLOZAFBKVGGIUDV-UHFFFAOYSA-N
XLogP9.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene
CID 13066047
dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174507938
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209
zinc;bis(2-methylprop-2-enoate);2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175350674
2-ethylperoxypropan-2-ylbenzene
CID 14923166
1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene
CID 54518129
2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene
CID 163671526
ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 161319985
2-but-3-en-2-ylperoxypropan-2-ylbenzene
CID 23166979

Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The IUPAC name of cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene (CID 174748033) is cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene.
What is the SMILES notation for cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The canonical SMILES for cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene is C1CCCCC1.C=C.C=C.C=C.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The InChIKey is LOZAFBKVGGIUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2.C6H12.3C2H4/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;1-2-4-6-5-3-1;3*1-2/h5-14H,1-4H3;1-6H2;3*1-2H2.
What are the key properties of cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene has a molecular weight of 438.70 g/mol, XLogP of 9.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene is sourced from PubChem (CID 174748033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).