4-prop-2-enoyloxyoctan-4-yl prop-2-enoate

C14H22O4 — CID 141007070

IUPAC4-prop-2-enoyloxyoctan-4-yl prop-2-enoate
SMILESC=CC(=O)OC(CCC)(CCCC)OC(=O)C=C
InChIInChI=1S/C14H22O4/c1-5-9-11-14(10-6-2,17-12(15)7-3)18-13(16)8-4/h7-8H,3-6,9-11H2,1-2H3
InChIKeyGPUVGVHEOLPEGR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.13
Rot. Bonds9

About 4-prop-2-enoyloxyoctan-4-yl prop-2-enoate

4-prop-2-enoyloxyoctan-4-yl prop-2-enoate (PubChem CID 141007070) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-prop-2-enoyloxyoctan-4-yl prop-2-enoate.

Molecular Properties

Compound Name4-prop-2-enoyloxyoctan-4-yl prop-2-enoate
PubChem CID141007070
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name4-prop-2-enoyloxyoctan-4-yl prop-2-enoate
SMILESC=CC(=O)OC(CCC)(CCCC)OC(=O)C=C
InChIInChI=1S/C14H22O4/c1-5-9-11-14(10-6-2,17-12(15)7-3)18-13(16)8-4/h7-8H,3-6,9-11H2,1-2H3
InChIKeyGPUVGVHEOLPEGR-UHFFFAOYSA-N
XLogP3.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-prop-2-enoyloxyoctan-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

4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate
CID 141057446
3-methoxyhexan-3-yl prop-2-enoate
CID 118937172
4-ethyloctan-4-yl prop-2-enoate
CID 164546411
7-pentyltridecan-7-yl prop-2-enoate
CID 166072578
3-methylhexan-3-yl prop-2-enoate
CID 87498844
(8-methyl-3-prop-2-enoyloxynonan-3-yl) prop-2-enoate
CID 167442239
(3-methyl-2-oxohexan-3-yl) prop-2-enoate
CID 177124679
4-carbamoyloctadecan-4-yl prop-2-enoate
CID 87315191
(3-ethyl-4,4-dimethyldecan-3-yl) prop-2-enoate
CID 164546468
(8-hydroxy-4-methyloctan-4-yl) prop-2-enoate
CID 174476432
3-[tri(prop-2-enoyloxy)methyl]octan-3-yl prop-2-enoate
CID 141378337
sodium 2-methanidylhexadecan-2-yl prop-2-enoate
CID 175848544

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoyloxyoctan-4-yl prop-2-enoate?
The IUPAC name of 4-prop-2-enoyloxyoctan-4-yl prop-2-enoate (CID 141007070) is 4-prop-2-enoyloxyoctan-4-yl prop-2-enoate.
What is the SMILES notation for 4-prop-2-enoyloxyoctan-4-yl prop-2-enoate?
The canonical SMILES for 4-prop-2-enoyloxyoctan-4-yl prop-2-enoate is C=CC(=O)OC(CCC)(CCCC)OC(=O)C=C.
What is the InChIKey of 4-prop-2-enoyloxyoctan-4-yl prop-2-enoate?
The InChIKey is GPUVGVHEOLPEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-5-9-11-14(10-6-2,17-12(15)7-3)18-13(16)8-4/h7-8H,3-6,9-11H2,1-2H3.
What are the key properties of 4-prop-2-enoyloxyoctan-4-yl prop-2-enoate?
4-prop-2-enoyloxyoctan-4-yl prop-2-enoate has a molecular weight of 254.33 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoyloxyoctan-4-yl prop-2-enoate is sourced from PubChem (CID 141007070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).