prop-2-enoyl tetradecanoate

C17H30O3 — CID 157201572

IUPACprop-2-enoyl tetradecanoate
SMILESC=CC(=O)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C17H30O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(19)20-16(18)4-2/h4H,2-3,5-15H2,1H3
InChIKeyPFZTUZVWAHVRMO-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.94
Rot. Bonds13

About prop-2-enoyl tetradecanoate

prop-2-enoyl tetradecanoate (PubChem CID 157201572) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is prop-2-enoyl tetradecanoate.

Molecular Properties

Compound Nameprop-2-enoyl tetradecanoate
PubChem CID157201572
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Nameprop-2-enoyl tetradecanoate
SMILESC=CC(=O)OC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C17H30O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(19)20-16(18)4-2/h4H,2-3,5-15H2,1H3
InChIKeyPFZTUZVWAHVRMO-UHFFFAOYSA-N
XLogP4.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methylprop-2-enoate;prop-2-enoyl octadecanoate
CID 174977721
dihexadecanoyl but-2-enedioate
CID 90876992
dihexadecanoyl (Z)-but-2-enedioate
CID 87225490
diprop-2-enoyl pentanedioate
CID 54164041
prop-2-enoyl decaneperoxoate
CID 175558054
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
henicosanoyl docosanoate
CID 175302110
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
prop-2-enoyl undec-10-enoate;zinc
CID 174962739
ethane;octadecanoyl octadecanoate
CID 174636018

Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl tetradecanoate?
The IUPAC name of prop-2-enoyl tetradecanoate (CID 157201572) is prop-2-enoyl tetradecanoate.
What is the SMILES notation for prop-2-enoyl tetradecanoate?
The canonical SMILES for prop-2-enoyl tetradecanoate is C=CC(=O)OC(=O)CCCCCCCCCCCCC.
What is the InChIKey of prop-2-enoyl tetradecanoate?
The InChIKey is PFZTUZVWAHVRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-17(19)20-16(18)4-2/h4H,2-3,5-15H2,1H3.
What are the key properties of prop-2-enoyl tetradecanoate?
prop-2-enoyl tetradecanoate has a molecular weight of 282.42 g/mol, XLogP of 4.94, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl tetradecanoate is sourced from PubChem (CID 157201572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).