prop-2-enyl hexadecanoate

C19H36O2 — CID 14428911

IUPACprop-2-enyl hexadecanoate
SMILESC=CCOC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-4-2/h4H,2-3,5-18H2,1H3
InChIKeyHAFZJTKIBGEQKT-UHFFFAOYSA-N
MW296.50 g/mol
LogP6.20
Rot. Bonds16

About prop-2-enyl hexadecanoate

prop-2-enyl hexadecanoate (PubChem CID 14428911) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is prop-2-enyl hexadecanoate.

Molecular Properties

Compound Nameprop-2-enyl hexadecanoate
PubChem CID14428911
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Nameprop-2-enyl hexadecanoate
SMILESC=CCOC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-4-2/h4H,2-3,5-18H2,1H3
InChIKeyHAFZJTKIBGEQKT-UHFFFAOYSA-N
XLogP6.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl hexadecanoate?
The IUPAC name of prop-2-enyl hexadecanoate (CID 14428911) is prop-2-enyl hexadecanoate.
What is the SMILES notation for prop-2-enyl hexadecanoate?
The canonical SMILES for prop-2-enyl hexadecanoate is C=CCOC(=O)CCCCCCCCCCCCCCC.
What is the InChIKey of prop-2-enyl hexadecanoate?
The InChIKey is HAFZJTKIBGEQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-4-2/h4H,2-3,5-18H2,1H3.
What are the key properties of prop-2-enyl hexadecanoate?
prop-2-enyl hexadecanoate has a molecular weight of 296.50 g/mol, XLogP of 6.20, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl hexadecanoate is sourced from PubChem (CID 14428911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).