undec-10-enoyl benzenecarboperoxoate

C18H24O4 — CID 14098196

IUPACundec-10-enoyl benzenecarboperoxoate
SMILESC=CCCCCCCCCC(=O)OOC(=O)c1ccccc1
InChIInChI=1S/C18H24O4/c1-2-3-4-5-6-7-8-12-15-17(19)21-22-18(20)16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2
InChIKeyUPMYPJGSCUKJJG-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.61
Rot. Bonds10

About undec-10-enoyl benzenecarboperoxoate

undec-10-enoyl benzenecarboperoxoate (PubChem CID 14098196) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is undec-10-enoyl benzenecarboperoxoate.

Molecular Properties

Compound Nameundec-10-enoyl benzenecarboperoxoate
PubChem CID14098196
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Nameundec-10-enoyl benzenecarboperoxoate
SMILESC=CCCCCCCCCC(=O)OOC(=O)c1ccccc1
InChIInChI=1S/C18H24O4/c1-2-3-4-5-6-7-8-12-15-17(19)21-22-18(20)16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2
InChIKeyUPMYPJGSCUKJJG-UHFFFAOYSA-N
XLogP4.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

benzoyl benzenecarboperoxoate;prop-2-en-1-amine
CID 88605356
undec-10-enoyl 4-hydroxybenzoate
CID 173176022
dibenzoyl octanedioate
CID 175475842
benzoyl benzenecarboperoxoate;prop-1-ene
CID 163525367
naphthalen-2-yl undec-10-enoate
CID 4206376
1-bromoundec-10-enyl benzoate
CID 169432361
[(2S)-2-amino-3-phenylpropanoyl] undec-10-enoate
CID 174650477
benzoyl benzenecarboperoxoate;butyl 2-methylprop-2-enoate;dodecanoyl dodecaneperoxoate
CID 174305038
(2-formylphenyl) hept-6-enoate
CID 87432029
3-phenylprop-2-enyl undec-10-enoate
CID 5058041
benzyl 2-oxonon-8-enoate
CID 150291557
benzyl 2-(oct-7-enoylamino)acetate
CID 71697886

Frequently Asked Questions

What is the IUPAC name of undec-10-enoyl benzenecarboperoxoate?
The IUPAC name of undec-10-enoyl benzenecarboperoxoate (CID 14098196) is undec-10-enoyl benzenecarboperoxoate.
What is the SMILES notation for undec-10-enoyl benzenecarboperoxoate?
The canonical SMILES for undec-10-enoyl benzenecarboperoxoate is C=CCCCCCCCCC(=O)OOC(=O)c1ccccc1.
What is the InChIKey of undec-10-enoyl benzenecarboperoxoate?
The InChIKey is UPMYPJGSCUKJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-2-3-4-5-6-7-8-12-15-17(19)21-22-18(20)16-13-10-9-11-14-16/h2,9-11,13-14H,1,3-8,12,15H2.
What are the key properties of undec-10-enoyl benzenecarboperoxoate?
undec-10-enoyl benzenecarboperoxoate has a molecular weight of 304.39 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enoyl benzenecarboperoxoate is sourced from PubChem (CID 14098196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).