4-ethyloctan-4-yl 2-methylprop-2-enoate

C14H26O2 — CID 89044828

IUPAC4-ethyloctan-4-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)(CCC)CCCC
InChIInChI=1S/C14H26O2/c1-6-9-11-14(8-3,10-7-2)16-13(15)12(4)5/h4,6-11H2,1-3,5H3
InChIKeyOKEWMEBNJTZLIB-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.24
Rot. Bonds8

About 4-ethyloctan-4-yl 2-methylprop-2-enoate

4-ethyloctan-4-yl 2-methylprop-2-enoate (PubChem CID 89044828) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-ethyloctan-4-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-ethyloctan-4-yl 2-methylprop-2-enoate
PubChem CID89044828
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-ethyloctan-4-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC)(CCC)CCCC
InChIInChI=1S/C14H26O2/c1-6-9-11-14(8-3,10-7-2)16-13(15)12(4)5/h4,6-11H2,1-3,5H3
InChIKeyOKEWMEBNJTZLIB-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.24
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

4-propylundecan-4-yl 2-methylprop-2-enoate
CID 164546631
5-methylnonan-5-yl 2-methylprop-2-enoate
CID 139896561
4-ethyloctan-4-yl prop-2-enoate
CID 164546411
[3-ethyl-1,3-dihydroxy-1-(2-methylprop-2-enoyloxy)heptyl] 2-methylprop-2-enoate
CID 142740375
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
2-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
(1-amino-2-methyl-1-oxohexan-2-yl) 2-methylprop-2-enoate
CID 174478502
[1-chloro-1,1,2-tris(2-methylprop-2-enoyloxy)hexan-2-yl] 2-methylprop-2-enoate
CID 140510055
[6-ethyl-6-(2-methylprop-2-enoyloxy)octoxy]-hydroxy-oxophosphanium
CID 172679246
5-propyldecan-5-yl acetate
CID 172855546
4-prop-2-enoyloxyoctan-4-yl 2-methylprop-2-enoate
CID 141057446
[3-ethyl-3-(2-methylprop-2-enoyloxy)pentoxy]-oxophosphanium
CID 150378416

Frequently Asked Questions

What is the IUPAC name of 4-ethyloctan-4-yl 2-methylprop-2-enoate?
The IUPAC name of 4-ethyloctan-4-yl 2-methylprop-2-enoate (CID 89044828) is 4-ethyloctan-4-yl 2-methylprop-2-enoate.
What is the SMILES notation for 4-ethyloctan-4-yl 2-methylprop-2-enoate?
The canonical SMILES for 4-ethyloctan-4-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)(CCC)CCCC.
What is the InChIKey of 4-ethyloctan-4-yl 2-methylprop-2-enoate?
The InChIKey is OKEWMEBNJTZLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-6-9-11-14(8-3,10-7-2)16-13(15)12(4)5/h4,6-11H2,1-3,5H3.
What are the key properties of 4-ethyloctan-4-yl 2-methylprop-2-enoate?
4-ethyloctan-4-yl 2-methylprop-2-enoate has a molecular weight of 226.36 g/mol, XLogP of 4.24, 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 2-methylprop-2-enoate is sourced from PubChem (CID 89044828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).