4-ethyloctan-4-yl prop-2-enoate

C13H24O2 — CID 164546411

IUPAC4-ethyloctan-4-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)(CCC)CCCC
InChIInChI=1S/C13H24O2/c1-5-9-11-13(8-4,10-6-2)15-12(14)7-3/h7H,3,5-6,8-11H2,1-2,4H3
InChIKeyWUWKBYMKQHNOHU-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.85
Rot. Bonds8

About 4-ethyloctan-4-yl prop-2-enoate

4-ethyloctan-4-yl prop-2-enoate (PubChem CID 164546411) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 4-ethyloctan-4-yl prop-2-enoate.

Molecular Properties

Compound Name4-ethyloctan-4-yl prop-2-enoate
PubChem CID164546411
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name4-ethyloctan-4-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)(CCC)CCCC
InChIInChI=1S/C13H24O2/c1-5-9-11-13(8-4,10-6-2)15-12(14)7-3/h7H,3,5-6,8-11H2,1-2,4H3
InChIKeyWUWKBYMKQHNOHU-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-pentyltridecan-7-yl prop-2-enoate
CID 166072578
4-prop-2-enoyloxyoctan-4-yl prop-2-enoate
CID 141007070
4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
6-(phosphonooxymethyl)undecan-6-yl prop-2-enoate
CID 151317239
3-methylhexan-3-yl prop-2-enoate
CID 87498844
3-methoxyhexan-3-yl prop-2-enoate
CID 118937172
4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate
CID 141057446
(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
(2,6-dimethyl-6-prop-2-enoyloxyheptan-2-yl) prop-2-enoate
CID 131723135
(2,7-dimethyl-7-prop-2-enoyloxyoctan-2-yl) prop-2-enoate
CID 131723132

Frequently Asked Questions

What is the IUPAC name of 4-ethyloctan-4-yl prop-2-enoate?
The IUPAC name of 4-ethyloctan-4-yl prop-2-enoate (CID 164546411) is 4-ethyloctan-4-yl prop-2-enoate.
What is the SMILES notation for 4-ethyloctan-4-yl prop-2-enoate?
The canonical SMILES for 4-ethyloctan-4-yl prop-2-enoate is C=CC(=O)OC(CC)(CCC)CCCC.
What is the InChIKey of 4-ethyloctan-4-yl prop-2-enoate?
The InChIKey is WUWKBYMKQHNOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-9-11-13(8-4,10-6-2)15-12(14)7-3/h7H,3,5-6,8-11H2,1-2,4H3.
What are the key properties of 4-ethyloctan-4-yl prop-2-enoate?
4-ethyloctan-4-yl prop-2-enoate has a molecular weight of 212.33 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloctan-4-yl prop-2-enoate is sourced from PubChem (CID 164546411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).