nonadec-1-en-4-yl prop-2-enoate

C22H40O2 — CID 11393552

IUPACnonadec-1-en-4-yl prop-2-enoate
SMILESC=CCC(CCCCCCCCCCCCCCC)OC(=O)C=C
InChIInChI=1S/C22H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-21(19-5-2)24-22(23)6-3/h5-6,21H,2-4,7-20H2,1H3
InChIKeyHKOJMYKNYWKJAO-UHFFFAOYSA-N
MW336.56 g/mol
LogP7.14
Rot. Bonds18

About nonadec-1-en-4-yl prop-2-enoate

nonadec-1-en-4-yl prop-2-enoate (PubChem CID 11393552) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is nonadec-1-en-4-yl prop-2-enoate.

Molecular Properties

Compound Namenonadec-1-en-4-yl prop-2-enoate
PubChem CID11393552
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Namenonadec-1-en-4-yl prop-2-enoate
SMILESC=CCC(CCCCCCCCCCCCCCC)OC(=O)C=C
InChIInChI=1S/C22H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-21(19-5-2)24-22(23)6-3/h5-6,21H,2-4,7-20H2,1H3
InChIKeyHKOJMYKNYWKJAO-UHFFFAOYSA-N
XLogP7.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 57.14
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze nonadec-1-en-4-yl prop-2-enoate 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

heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
tridecan-5-yl prop-2-enoate
CID 141073146
pentadecan-4-yl prop-2-enoate
CID 543287
dodecan-3-yl prop-2-enoate
CID 543279
[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
3-prop-2-enoyloxypentadecanoic acid
CID 57233107
6-prop-2-enoyloxydodecyl prop-2-enoate
CID 151920559
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
non-1-en-4-yl propanoate
CID 139804434
ethanol;octan-3-yl prop-2-enoate
CID 158914224
2-prop-2-enoyloxyheptyl prop-2-enoate
CID 123616440

Frequently Asked Questions

What is the IUPAC name of nonadec-1-en-4-yl prop-2-enoate?
The IUPAC name of nonadec-1-en-4-yl prop-2-enoate (CID 11393552) is nonadec-1-en-4-yl prop-2-enoate.
What is the SMILES notation for nonadec-1-en-4-yl prop-2-enoate?
The canonical SMILES for nonadec-1-en-4-yl prop-2-enoate is C=CCC(CCCCCCCCCCCCCCC)OC(=O)C=C.
What is the InChIKey of nonadec-1-en-4-yl prop-2-enoate?
The InChIKey is HKOJMYKNYWKJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-21(19-5-2)24-22(23)6-3/h5-6,21H,2-4,7-20H2,1H3.
What are the key properties of nonadec-1-en-4-yl prop-2-enoate?
nonadec-1-en-4-yl prop-2-enoate has a molecular weight of 336.56 g/mol, XLogP of 7.14, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonadec-1-en-4-yl prop-2-enoate is sourced from PubChem (CID 11393552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).