hexadecyl prop-2-enoate;hydrofluoride

C19H37FO2 — CID 159337716

IUPAChexadecyl prop-2-enoate;hydrofluoride
SMILESC=CC(=O)OCCCCCCCCCCCCCCCC.F
InChIInChI=1S/C19H36O2.FH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2;/h4H,2-3,5-18H2,1H3;1H
InChIKeyMFQLLCCRCUFUTF-UHFFFAOYSA-N
MW316.50 g/mol
LogP6.35
Rot. Bonds16

About hexadecyl prop-2-enoate;hydrofluoride

hexadecyl prop-2-enoate;hydrofluoride (PubChem CID 159337716) has the molecular formula C19H37FO2 and a molecular weight of 316.50 g/mol. Its IUPAC name is hexadecyl prop-2-enoate;hydrofluoride.

Molecular Properties

Compound Namehexadecyl prop-2-enoate;hydrofluoride
PubChem CID159337716
Molecular FormulaC19H37FO2
Molecular Weight316.50 g/mol
Exact Mass316.28
IUPAC Namehexadecyl prop-2-enoate;hydrofluoride
SMILESC=CC(=O)OCCCCCCCCCCCCCCCC.F
InChIInChI=1S/C19H36O2.FH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2;/h4H,2-3,5-18H2,1H3;1H
InChIKeyMFQLLCCRCUFUTF-UHFFFAOYSA-N
XLogP6.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.50
LogP ≤ 56.35
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'}

Analyze hexadecyl prop-2-enoate;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
azane;octyl prop-2-enoate
CID 175482602
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
chloroethene;octyl prop-2-enoate
CID 87386135
5-hexoxypentyl prop-2-enoate
CID 141336215
ethane-1,2-diol;hexyl prop-2-enoate
CID 87769837

Frequently Asked Questions

What is the IUPAC name of hexadecyl prop-2-enoate;hydrofluoride?
The IUPAC name of hexadecyl prop-2-enoate;hydrofluoride (CID 159337716) is hexadecyl prop-2-enoate;hydrofluoride.
What is the SMILES notation for hexadecyl prop-2-enoate;hydrofluoride?
The canonical SMILES for hexadecyl prop-2-enoate;hydrofluoride is C=CC(=O)OCCCCCCCCCCCCCCCC.F.
What is the InChIKey of hexadecyl prop-2-enoate;hydrofluoride?
The InChIKey is MFQLLCCRCUFUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O2.FH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)4-2;/h4H,2-3,5-18H2,1H3;1H.
What are the key properties of hexadecyl prop-2-enoate;hydrofluoride?
hexadecyl prop-2-enoate;hydrofluoride has a molecular weight of 316.50 g/mol, XLogP of 6.35, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl prop-2-enoate;hydrofluoride is sourced from PubChem (CID 159337716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).