oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene

C18H18O3Zn — CID 174931923

IUPACoxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene
SMILESC=CCc1ccc(OOc2ccc(CC=C)cc2)cc1.O=[Zn]
InChIInChI=1S/C18H18O2.O.Zn/c1-3-5-15-7-11-17(12-8-15)19-20-18-13-9-16(6-4-2)10-14-18;;/h3-4,7-14H,1-2,5-6H2;;
InChIKeyLKSKQAMHXHPJFD-UHFFFAOYSA-N
MW347.73 g/mol
LogP4.40
Rot. Bonds7

About oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene

oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene (PubChem CID 174931923) has the molecular formula C18H18O3Zn and a molecular weight of 347.73 g/mol. Its IUPAC name is oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene.

Molecular Properties

Compound Nameoxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene
PubChem CID174931923
Molecular FormulaC18H18O3Zn
Molecular Weight347.73 g/mol
Exact Mass346.05
IUPAC Nameoxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene
SMILESC=CCc1ccc(OOc2ccc(CC=C)cc2)cc1.O=[Zn]
InChIInChI=1S/C18H18O2.O.Zn/c1-3-5-15-7-11-17(12-8-15)19-20-18-13-9-16(6-4-2)10-14-18;;/h3-4,7-14H,1-2,5-6H2;;
InChIKeyLKSKQAMHXHPJFD-UHFFFAOYSA-N
XLogP4.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.73
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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

bis(4-prop-2-enylphenyl) (Z)-but-2-enedioate
CID 67944878
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
1-(difluoromethoxy)-4-prop-2-enylbenzene
CID 142914126
4-(4-prop-2-enylphenoxy)phenol
CID 141330239
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
(4-prop-2-enylphenyl) 2-hydroperoxyacetate
CID 88806265
1-cyclopropyloxy-4-prop-2-enylbenzene
CID 114520509
1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene
CID 67686849
1-phosphoroso-4-prop-2-enylbenzene
CID 174680484
sodium;hydride;prop-2-enyl 4-prop-2-enylbenzenesulfonate
CID 175045433
prop-2-enylbenzene
CID 159998516
methane;1-methyl-4-prop-2-enylbenzene
CID 165001357

Frequently Asked Questions

What is the IUPAC name of oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene?
The IUPAC name of oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene (CID 174931923) is oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene.
What is the SMILES notation for oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene?
The canonical SMILES for oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene is C=CCc1ccc(OOc2ccc(CC=C)cc2)cc1.O=[Zn].
What is the InChIKey of oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene?
The InChIKey is LKSKQAMHXHPJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2.O.Zn/c1-3-5-15-7-11-17(12-8-15)19-20-18-13-9-16(6-4-2)10-14-18;;/h3-4,7-14H,1-2,5-6H2;;.
What are the key properties of oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene?
oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene has a molecular weight of 347.73 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene is sourced from PubChem (CID 174931923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).