1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride

C14H20F6O2P- — CID 159433519

IUPAC1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride
SMILESC=Cc1ccc(COOCC(C)(C)C)cc1.FP(F)(F)(F)F.[F-]
InChIInChI=1S/C14H20O2.F5P.FH/c1-5-12-6-8-13(9-7-12)10-15-16-11-14(2,3)4;1-6(2,3,4)5;/h5-9H,1,10-11H2,2-4H3;;1H/p-1
InChIKeyLRGYCWDMRYMUNW-UHFFFAOYSA-M
MW365.27 g/mol
LogP3.79
Rot. Bonds5

About 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride

1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride (PubChem CID 159433519) has the molecular formula C14H20F6O2P- and a molecular weight of 365.27 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride.

Molecular Properties

Compound Name1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride
PubChem CID159433519
Molecular FormulaC14H20F6O2P-
Molecular Weight365.27 g/mol
Exact Mass365.11
IUPAC Name1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride
SMILESC=Cc1ccc(COOCC(C)(C)C)cc1.FP(F)(F)(F)F.[F-]
InChIInChI=1S/C14H20O2.F5P.FH/c1-5-12-6-8-13(9-7-12)10-15-16-11-14(2,3)4;1-6(2,3,4)5;/h5-9H,1,10-11H2,2-4H3;;1H/p-1
InChIKeyLRGYCWDMRYMUNW-UHFFFAOYSA-M
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.79
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethenylphenyl)methylperoxy]propan-2-ol
CID 141437530
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
(4-ethenylphenyl)methyl 2,2-dimethylbutanoate
CID 20764938
1-ethenyl-4-[4-(methoxymethyl)phenyl]benzene
CID 22186395
1-ethenyl-4-[2-(2-propoxyethoxy)ethoxymethyl]benzene
CID 123157384
bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium
CID 162713080
1-ethenyl-4-(methylperoxymethyl)benzene;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 89264123
(4-ethenylphenyl)methyl 2,3,3-trimethyl-2-propan-2-ylbutanoate
CID 89207567
N-[2-[(4-ethenylphenyl)methoxy]ethyl]-N,2-dimethylpropan-2-amine
CID 118177639
(4-ethenylphenyl)methoxymethylsilane
CID 159198884
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride?
The IUPAC name of 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride (CID 159433519) is 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride.
What is the SMILES notation for 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride?
The canonical SMILES for 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride is C=Cc1ccc(COOCC(C)(C)C)cc1.FP(F)(F)(F)F.[F-].
What is the InChIKey of 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride?
The InChIKey is LRGYCWDMRYMUNW-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H20O2.F5P.FH/c1-5-12-6-8-13(9-7-12)10-15-16-11-14(2,3)4;1-6(2,3,4)5;/h5-9H,1,10-11H2,2-4H3;;1H/p-1.
What are the key properties of 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride?
1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride has a molecular weight of 365.27 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylperoxymethyl)-4-ethenylbenzene;pentafluoro-λ5-phosphane;fluoride is sourced from PubChem (CID 159433519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).