octyl (Z)-3-ethoxy-2-methylprop-2-enoate

C14H26O3 — CID 59895705

IUPACoctyl (Z)-3-ethoxy-2-methylprop-2-enoate
SMILESCCCCCCCCOC(=O)/C(C)=C\OCC
InChIInChI=1S/C14H26O3/c1-4-6-7-8-9-10-11-17-14(15)13(3)12-16-5-2/h12H,4-11H2,1-3H3/b13-12-
InChIKeySTDMUUIQXKIEAG-SEYXRHQNSA-N
MW242.36 g/mol
LogP3.83
Rot. Bonds10

About octyl (Z)-3-ethoxy-2-methylprop-2-enoate

octyl (Z)-3-ethoxy-2-methylprop-2-enoate (PubChem CID 59895705) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is octyl (Z)-3-ethoxy-2-methylprop-2-enoate.

Molecular Properties

Compound Nameoctyl (Z)-3-ethoxy-2-methylprop-2-enoate
PubChem CID59895705
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nameoctyl (Z)-3-ethoxy-2-methylprop-2-enoate
SMILESCCCCCCCCOC(=O)/C(C)=C\OCC
InChIInChI=1S/C14H26O3/c1-4-6-7-8-9-10-11-17-14(15)13(3)12-16-5-2/h12H,4-11H2,1-3H3/b13-12-
InChIKeySTDMUUIQXKIEAG-SEYXRHQNSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propyl (E)-3-ethoxy-2-methylprop-2-enoate
CID 88810340
undecyl (E)-2-methylbut-2-enoate
CID 91701896
dodecyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
CID 123232921
dodecyl 3-[2-(2-hydroxyethoxy)ethoxy]-2-methylprop-2-enoate
CID 123776236
dodecyl 2-methyl-3-(2-methyl-3-sulfanylprop-2-enoyl)oxyprop-2-enoate
CID 174402283
octadecyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
CID 139632797
octadecyl 2-methyl-3-phosphonooxyprop-2-enoate
CID 54255518
2-hydroxyethyl 3-ethoxy-2-methylprop-2-enoate
CID 173011903
icosyl 2-methyltricos-2-enoate
CID 90881383
dodecyl 2-methylhenicos-2-enoate
CID 57172953
heptyl 2-methylhexadec-2-enoate
CID 174820936
4-icosoxy-3-methyl-4-oxobut-2-enoic acid
CID 54033300

Frequently Asked Questions

What is the IUPAC name of octyl (Z)-3-ethoxy-2-methylprop-2-enoate?
The IUPAC name of octyl (Z)-3-ethoxy-2-methylprop-2-enoate (CID 59895705) is octyl (Z)-3-ethoxy-2-methylprop-2-enoate.
What is the SMILES notation for octyl (Z)-3-ethoxy-2-methylprop-2-enoate?
The canonical SMILES for octyl (Z)-3-ethoxy-2-methylprop-2-enoate is CCCCCCCCOC(=O)/C(C)=C\OCC.
What is the InChIKey of octyl (Z)-3-ethoxy-2-methylprop-2-enoate?
The InChIKey is STDMUUIQXKIEAG-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H26O3/c1-4-6-7-8-9-10-11-17-14(15)13(3)12-16-5-2/h12H,4-11H2,1-3H3/b13-12-.
What are the key properties of octyl (Z)-3-ethoxy-2-methylprop-2-enoate?
octyl (Z)-3-ethoxy-2-methylprop-2-enoate has a molecular weight of 242.36 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl (Z)-3-ethoxy-2-methylprop-2-enoate is sourced from PubChem (CID 59895705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).