2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene

C13H16O3 — CID 122443115

IUPAC2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene
SMILESC=CCCOOc1cc(C=C)ccc1OC
InChIInChI=1S/C13H16O3/c1-4-6-9-15-16-13-10-11(5-2)7-8-12(13)14-3/h4-5,7-8,10H,1-2,6,9H2,3H3
InChIKeyWLCMQPXVPFYVFD-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.22
Rot. Bonds7

About 2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene

2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene (PubChem CID 122443115) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene.

Molecular Properties

Compound Name2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene
PubChem CID122443115
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene
SMILESC=CCCOOc1cc(C=C)ccc1OC
InChIInChI=1S/C13H16O3/c1-4-6-9-15-16-13-10-11(5-2)7-8-12(13)14-3/h4-5,7-8,10H,1-2,6,9H2,3H3
InChIKeyWLCMQPXVPFYVFD-UHFFFAOYSA-N
XLogP3.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-ethenyl-1,2-dimethoxybenzene
CID 159733418
4-ethenyl-2-ethoxy-1-methoxybenzene
CID 11665489
4-ethenyl-2-methoxy-1-(methoxymethoxy)benzene
CID 59623316
3-hept-6-enoxy-4-methoxybenzaldehyde
CID 107007313
2-chloro-4-ethenyl-1-methoxybenzene
CID 11147958
1-but-3-enoxy-2-methoxybenzene
CID 56629510
4-(4-ethenylphenyl)-2-fluoro-1-methoxybenzene
CID 25270619
3-(but-3-enoxymethyl)-4-methoxybenzaldehyde
CID 62031393
4-ethenyl-1,2-bis(methoxymethoxy)benzene
CID 57430947
methyl 2-(4-ethenyl-2-methoxyphenoxy)acetate
CID 167145651
5-ethenyl-2-[2-[2-(4-ethenylphenoxy)ethoxy]ethoxy]-1,3-dimethoxybenzene
CID 11291660
1-(3-bromopropyl)-4-ethenyl-2-methoxybenzene
CID 90007453

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene?
The IUPAC name of 2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene (CID 122443115) is 2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene.
What is the SMILES notation for 2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene?
The canonical SMILES for 2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene is C=CCCOOc1cc(C=C)ccc1OC.
What is the InChIKey of 2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene?
The InChIKey is WLCMQPXVPFYVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-6-9-15-16-13-10-11(5-2)7-8-12(13)14-3/h4-5,7-8,10H,1-2,6,9H2,3H3.
What are the key properties of 2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene?
2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene has a molecular weight of 220.27 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enylperoxy-4-ethenyl-1-methoxybenzene is sourced from PubChem (CID 122443115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).