decyl prop-2-eneperoxoate

C13H24O3 — CID 151851991

IUPACdecyl prop-2-eneperoxoate
SMILESC=CC(=O)OOCCCCCCCCCC
InChIInChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-12-15-16-13(14)4-2/h4H,2-3,5-12H2,1H3
InChIKeySIXAKLJWQYZLMS-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.79
Rot. Bonds11

About decyl prop-2-eneperoxoate

decyl prop-2-eneperoxoate (PubChem CID 151851991) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is decyl prop-2-eneperoxoate.

Molecular Properties

Compound Namedecyl prop-2-eneperoxoate
PubChem CID151851991
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Namedecyl prop-2-eneperoxoate
SMILESC=CC(=O)OOCCCCCCCCCC
InChIInChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-12-15-16-13(14)4-2/h4H,2-3,5-12H2,1H3
InChIKeySIXAKLJWQYZLMS-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
tert-butyl prop-2-enoate;1-dodecylperoxydodecane
CID 158045908
azane;octyl prop-2-enoate
CID 175482602
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 11083788
2-docosoxyethyl prop-2-enoate
CID 87118947

Frequently Asked Questions

What is the IUPAC name of decyl prop-2-eneperoxoate?
The IUPAC name of decyl prop-2-eneperoxoate (CID 151851991) is decyl prop-2-eneperoxoate.
What is the SMILES notation for decyl prop-2-eneperoxoate?
The canonical SMILES for decyl prop-2-eneperoxoate is C=CC(=O)OOCCCCCCCCCC.
What is the InChIKey of decyl prop-2-eneperoxoate?
The InChIKey is SIXAKLJWQYZLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-5-6-7-8-9-10-11-12-15-16-13(14)4-2/h4H,2-3,5-12H2,1H3.
What are the key properties of decyl prop-2-eneperoxoate?
decyl prop-2-eneperoxoate has a molecular weight of 228.33 g/mol, XLogP of 3.79, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl prop-2-eneperoxoate is sourced from PubChem (CID 151851991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).