decyl prop-2-enoate

C13H24O2 — CID 16541

IUPACdecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h4H,2-3,5-12H2,1H3
InChIKeyFWLDHHJLVGRRHD-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.86
Rot. Bonds10

About decyl prop-2-enoate

decyl prop-2-enoate (PubChem CID 16541) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is decyl prop-2-enoate.

Molecular Properties

Compound Namedecyl prop-2-enoate
PubChem CID16541
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namedecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h4H,2-3,5-12H2,1H3
InChIKeyFWLDHHJLVGRRHD-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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CID 8906
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Isodecyl acrylate
CID 14899
1,6-Hexanediol diacrylate
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Isooctyl acrylate
CID 165746
Hexyl acrylate
CID 17259
Decyl methacrylate
CID 18510
Tridecyl acrylate
CID 18316
Di-n-octyl maleate
CID 6433353
Octyl acrylate
CID 17258
Sodium Stearyl Fumarate
CID 23665634
Heptyl acrylate
CID 17257

Frequently Asked Questions

What is the IUPAC name of decyl prop-2-enoate?
The IUPAC name of decyl prop-2-enoate (CID 16541) 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.
What is the InChIKey of decyl prop-2-enoate?
The InChIKey is FWLDHHJLVGRRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h4H,2-3,5-12H2,1H3.
What are the key properties of decyl prop-2-enoate?
decyl prop-2-enoate has a molecular weight of 212.33 g/mol, XLogP of 3.86, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl prop-2-enoate is sourced from PubChem (CID 16541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).