methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate

C15H24O4 — CID 142739208

IUPACmethyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate
SMILESC=CC(=O)O/C(=C\CC(CC)CCCC)C(=O)OC
InChIInChI=1S/C15H24O4/c1-5-8-9-12(6-2)10-11-13(15(17)18-4)19-14(16)7-3/h7,11-12H,3,5-6,8-10H2,1-2,4H3/b13-11-
InChIKeyBHLJSGPJLMDZQF-QBFSEMIESA-N
MW268.35 g/mol
LogP3.38
Rot. Bonds9

About methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate

methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate (PubChem CID 142739208) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate
PubChem CID142739208
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Namemethyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate
SMILESC=CC(=O)O/C(=C\CC(CC)CCCC)C(=O)OC
InChIInChI=1S/C15H24O4/c1-5-8-9-12(6-2)10-11-13(15(17)18-4)19-14(16)7-3/h7,11-12H,3,5-6,8-10H2,1-2,4H3/b13-11-
InChIKeyBHLJSGPJLMDZQF-QBFSEMIESA-N
XLogP3.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-ethylhexyl] prop-2-enoate
CID 6994086
methyl 5,5-dimethyl-2-prop-2-enoyloxyhex-2-enoate
CID 174805371
methyl 4-ethyl-2-oxooctanoate
CID 87175100
2-(3-ethylheptylidene)butanedioic acid
CID 54415150
ethyl 5-hydroxy-2-prop-2-enoyloxyhex-2-enoate
CID 174469233
bis(2-methylprop-2-enoyl) 4-(3-ethylheptylidene)-2-methylpent-2-enedioate
CID 88605799
tert-butyl 5-ethyl-2-methylnon-2-enoate
CID 57281876
(4S)-4-ethyloct-1-ene
CID 129373406
5-ethyl-2-(hydroxymethyl)non-2-enoic acid
CID 57299484
4-ethyloct-1-ene;hexanedioic acid
CID 175450276
[(Z)-5-ethylnon-2-enyl] methyl carbonate
CID 101051912
methyl 2-methyl-3-prop-2-enoyloxyhept-2-enoate
CID 174418180

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate?
The IUPAC name of methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate (CID 142739208) is methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate.
What is the SMILES notation for methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate?
The canonical SMILES for methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate is C=CC(=O)O/C(=C\CC(CC)CCCC)C(=O)OC.
What is the InChIKey of methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate?
The InChIKey is BHLJSGPJLMDZQF-QBFSEMIESA-N. The full InChI is InChI=1S/C15H24O4/c1-5-8-9-12(6-2)10-11-13(15(17)18-4)19-14(16)7-3/h7,11-12H,3,5-6,8-10H2,1-2,4H3/b13-11-.
What are the key properties of methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate?
methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate has a molecular weight of 268.35 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-ethyl-2-prop-2-enoyloxynon-2-enoate is sourced from PubChem (CID 142739208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).