1-prop-2-enyl-2-propylperoxybenzene

C12H16O2 — CID 87336505

IUPAC1-prop-2-enyl-2-propylperoxybenzene
SMILESC=CCc1ccccc1OOCCC
InChIInChI=1S/C12H16O2/c1-3-7-11-8-5-6-9-12(11)14-13-10-4-2/h3,5-6,8-9H,1,4,7,10H2,2H3
InChIKeyWKJVIOKJOMBXEH-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.14
Rot. Bonds6

About 1-prop-2-enyl-2-propylperoxybenzene

1-prop-2-enyl-2-propylperoxybenzene (PubChem CID 87336505) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-prop-2-enyl-2-propylperoxybenzene.

Molecular Properties

Compound Name1-prop-2-enyl-2-propylperoxybenzene
PubChem CID87336505
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-prop-2-enyl-2-propylperoxybenzene
SMILESC=CCc1ccccc1OOCCC
InChIInChI=1S/C12H16O2/c1-3-7-11-8-5-6-9-12(11)14-13-10-4-2/h3,5-6,8-9H,1,4,7,10H2,2H3
InChIKeyWKJVIOKJOMBXEH-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

ethoxyethane;1-prop-2-enyl-2-(2-prop-2-enylphenoxy)benzene
CID 154957356
2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
CID 15477926
CID 15477926
1-prop-2-enyl-2-propylbenzene
CID 12585186
ethoxyethane;(2-prop-2-enylphenoxy) hydrogen sulfate
CID 88606889
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
1-(2-prop-2-enylphenoxy)propan-1-ol
CID 70371312
N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
1-(2-prop-2-enylphenoxy)pentan-2-one
CID 62044058
1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
CID 14224427
2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine
CID 103074650
1-butyl-2-prop-2-enylbenzene
CID 18786435

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2-propylperoxybenzene?
The IUPAC name of 1-prop-2-enyl-2-propylperoxybenzene (CID 87336505) is 1-prop-2-enyl-2-propylperoxybenzene.
What is the SMILES notation for 1-prop-2-enyl-2-propylperoxybenzene?
The canonical SMILES for 1-prop-2-enyl-2-propylperoxybenzene is C=CCc1ccccc1OOCCC.
What is the InChIKey of 1-prop-2-enyl-2-propylperoxybenzene?
The InChIKey is WKJVIOKJOMBXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-7-11-8-5-6-9-12(11)14-13-10-4-2/h3,5-6,8-9H,1,4,7,10H2,2H3.
What are the key properties of 1-prop-2-enyl-2-propylperoxybenzene?
1-prop-2-enyl-2-propylperoxybenzene has a molecular weight of 192.26 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-propylperoxybenzene is sourced from PubChem (CID 87336505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).