1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene

C14H19ClO2 — CID 175752559

IUPAC1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene
SMILESCCCCC=Cc1ccc(Cl)c(COOC)c1
InChIInChI=1S/C14H19ClO2/c1-3-4-5-6-7-12-8-9-14(15)13(10-12)11-17-16-2/h6-10H,3-5,11H2,1-2H3
InChIKeyHBOKIYUIFVATKN-UHFFFAOYSA-N
MW254.76 g/mol
LogP4.62
Rot. Bonds7

About 1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene

1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene (PubChem CID 175752559) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene
PubChem CID175752559
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene
SMILESCCCCC=Cc1ccc(Cl)c(COOC)c1
InChIInChI=1S/C14H19ClO2/c1-3-4-5-6-7-12-8-9-14(15)13(10-12)11-17-16-2/h6-10H,3-5,11H2,1-2H3
InChIKeyHBOKIYUIFVATKN-UHFFFAOYSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 54.62
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene?
The IUPAC name of 1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene (CID 175752559) is 1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene.
What is the SMILES notation for 1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene?
The canonical SMILES for 1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene is CCCCC=Cc1ccc(Cl)c(COOC)c1.
What is the InChIKey of 1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene?
The InChIKey is HBOKIYUIFVATKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-3-4-5-6-7-12-8-9-14(15)13(10-12)11-17-16-2/h6-10H,3-5,11H2,1-2H3.
What are the key properties of 1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene?
1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene has a molecular weight of 254.76 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-hex-1-enyl-2-(methylperoxymethyl)benzene is sourced from PubChem (CID 175752559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).