decyl prop-2-enoate

C26H48O4 — CID 162172023

IUPACdecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCC.C=CC(=O)OCCCCCCCCCC
InChIInChI=1S/2C13H24O2/c2*1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h2*4H,2-3,5-12H2,1H3
InChIKeyZNXOCMOCJGQLBM-UHFFFAOYSA-N
MW424.67 g/mol
LogP7.71
Rot. Bonds20

About decyl prop-2-enoate

decyl prop-2-enoate (PubChem CID 162172023) has the molecular formula C26H48O4 and a molecular weight of 424.67 g/mol. Its IUPAC name is decyl prop-2-enoate.

Molecular Properties

Compound Namedecyl prop-2-enoate
PubChem CID162172023
Molecular FormulaC26H48O4
Molecular Weight424.67 g/mol
Exact Mass424.36
IUPAC Namedecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCC.C=CC(=O)OCCCCCCCCCC
InChIInChI=1S/2C13H24O2/c2*1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h2*4H,2-3,5-12H2,1H3
InChIKeyZNXOCMOCJGQLBM-UHFFFAOYSA-N
XLogP7.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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
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
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
azane;octyl prop-2-enoate
CID 175482602
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
5-hexoxypentyl prop-2-enoate
CID 141336215
chloroethene;octyl prop-2-enoate
CID 87386135
ethane-1,2-diol;hexyl prop-2-enoate
CID 87769837

Frequently Asked Questions

What is the IUPAC name of decyl prop-2-enoate?
The IUPAC name of decyl prop-2-enoate (CID 162172023) is decyl prop-2-enoate.
What is the SMILES notation for decyl prop-2-enoate?
The canonical SMILES for decyl prop-2-enoate is C=CC(=O)OCCCCCCCCCC.C=CC(=O)OCCCCCCCCCC.
What is the InChIKey of decyl prop-2-enoate?
The InChIKey is ZNXOCMOCJGQLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H24O2/c2*1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h2*4H,2-3,5-12H2,1H3.
What are the key properties of decyl prop-2-enoate?
decyl prop-2-enoate has a molecular weight of 424.67 g/mol, XLogP of 7.71, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl prop-2-enoate is sourced from PubChem (CID 162172023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).