ethenyl 7-ethenoxycarbonyloxyperoxyheptanoate

C12H18O7 — CID 87570835

IUPACethenyl 7-ethenoxycarbonyloxyperoxyheptanoate
SMILESC=COC(=O)CCCCCCOOOC(=O)OC=C
InChIInChI=1S/C12H18O7/c1-3-15-11(13)9-7-5-6-8-10-17-19-18-12(14)16-4-2/h3-4H,1-2,5-10H2
InChIKeyBAYXKBOBRLUXJS-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.78
Rot. Bonds11

About ethenyl 7-ethenoxycarbonyloxyperoxyheptanoate

ethenyl 7-ethenoxycarbonyloxyperoxyheptanoate (PubChem CID 87570835) has the molecular formula C12H18O7 and a molecular weight of 274.27 g/mol. Its IUPAC name is ethenyl 7-ethenoxycarbonyloxyperoxyheptanoate.

Molecular Properties

Compound Nameethenyl 7-ethenoxycarbonyloxyperoxyheptanoate
PubChem CID87570835
Molecular FormulaC12H18O7
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Nameethenyl 7-ethenoxycarbonyloxyperoxyheptanoate
SMILESC=COC(=O)CCCCCCOOOC(=O)OC=C
InChIInChI=1S/C12H18O7/c1-3-15-11(13)9-7-5-6-8-10-17-19-18-12(14)16-4-2/h3-4H,1-2,5-10H2
InChIKeyBAYXKBOBRLUXJS-UHFFFAOYSA-N
XLogP2.78
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Related Compounds

bis(ethenyl) hexanedioate
CID 19997
30-ethenoxy-30-oxotriacontanoic acid
CID 139682683
11-ethenoxy-11-oxoundecanoic acid
CID 139682785
45-ethenoxy-45-oxopentatetracontanoic acid
CID 139682706
acetic acid;bis(ethenyl) dodecanedioate
CID 174577990
ethenyl 16-hydroxyhexadecanoate
CID 88593683
ethenyl 6-hydroxyhexanoate
CID 88593109
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
ethenyl heptatriacontanoate
CID 139682782
ethenyl henpentacontanoate
CID 139683011
ethenyl tetracontanoate
CID 139682936
ethenyl octacosanoate
CID 54439588

Frequently Asked Questions

What is the IUPAC name of ethenyl 7-ethenoxycarbonyloxyperoxyheptanoate?
The IUPAC name of ethenyl 7-ethenoxycarbonyloxyperoxyheptanoate (CID 87570835) is ethenyl 7-ethenoxycarbonyloxyperoxyheptanoate.
What is the SMILES notation for ethenyl 7-ethenoxycarbonyloxyperoxyheptanoate?
The canonical SMILES for ethenyl 7-ethenoxycarbonyloxyperoxyheptanoate is C=COC(=O)CCCCCCOOOC(=O)OC=C.
What is the InChIKey of ethenyl 7-ethenoxycarbonyloxyperoxyheptanoate?
The InChIKey is BAYXKBOBRLUXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O7/c1-3-15-11(13)9-7-5-6-8-10-17-19-18-12(14)16-4-2/h3-4H,1-2,5-10H2.
What are the key properties of ethenyl 7-ethenoxycarbonyloxyperoxyheptanoate?
ethenyl 7-ethenoxycarbonyloxyperoxyheptanoate has a molecular weight of 274.27 g/mol, XLogP of 2.78, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 7-ethenoxycarbonyloxyperoxyheptanoate is sourced from PubChem (CID 87570835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).