methyl (E)-2-ethyldec-2-enoate

C13H24O2 — CID 25232141

IUPACmethyl (E)-2-ethyldec-2-enoate
SMILESCCCCCCC/C=C(\CC)C(=O)OC
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-10-11-12(5-2)13(14)15-3/h11H,4-10H2,1-3H3/b12-11+
InChIKeyDLYZPZPYCLVHMH-VAWYXSNFSA-N
MW212.33 g/mol
LogP3.86
Rot. Bonds8

About methyl (E)-2-ethyldec-2-enoate

methyl (E)-2-ethyldec-2-enoate (PubChem CID 25232141) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is methyl (E)-2-ethyldec-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-ethyldec-2-enoate
PubChem CID25232141
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Namemethyl (E)-2-ethyldec-2-enoate
SMILESCCCCCCC/C=C(\CC)C(=O)OC
InChIInChI=1S/C13H24O2/c1-4-6-7-8-9-10-11-12(5-2)13(14)15-3/h11H,4-10H2,1-3H3/b12-11+
InChIKeyDLYZPZPYCLVHMH-VAWYXSNFSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-2-(bromomethyl)dec-2-enoate
CID 102422936
methyl (E)-2-(bromomethyl)dec-2-enoate
CID 121008689
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CID 174821215
propyl 2-ethyldodec-2-enoate
CID 175495341
methyl 2-methyloct-2-enoate
CID 71403822
methyl (Z)-2-butylhept-2-enoate
CID 11550182
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
methyl (E)-2-benzyloct-2-enoate
CID 11010254
(Z)-2-methoxypentadec-2-enoic acid
CID 87404776
2-methylprop-2-enoic acid;propyl 2-ethyldodec-2-enoate
CID 175495340
methyl (Z)-2-[(2-chloroacetyl)amino]hexadec-2-enoate
CID 110190847
methyl 2-(1-hydroxy-2-oxopropyl)heptacos-2-enoate
CID 75068995

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-ethyldec-2-enoate?
The IUPAC name of methyl (E)-2-ethyldec-2-enoate (CID 25232141) is methyl (E)-2-ethyldec-2-enoate.
What is the SMILES notation for methyl (E)-2-ethyldec-2-enoate?
The canonical SMILES for methyl (E)-2-ethyldec-2-enoate is CCCCCCC/C=C(\CC)C(=O)OC.
What is the InChIKey of methyl (E)-2-ethyldec-2-enoate?
The InChIKey is DLYZPZPYCLVHMH-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-6-7-8-9-10-11-12(5-2)13(14)15-3/h11H,4-10H2,1-3H3/b12-11+.
What are the key properties of methyl (E)-2-ethyldec-2-enoate?
methyl (E)-2-ethyldec-2-enoate has a molecular weight of 212.33 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-ethyldec-2-enoate is sourced from PubChem (CID 25232141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).