ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate

C15H24O2 — CID 134858518

IUPACethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate
SMILESC=C(C/C(=C\C)CCC=C(C)C)C(=O)OCC
InChIInChI=1S/C15H24O2/c1-6-14(10-8-9-12(3)4)11-13(5)15(16)17-7-2/h6,9H,5,7-8,10-11H2,1-4H3/b14-6-
InChIKeyCSXLBQORQOSILX-NSIKDUERSA-N
MW236.35 g/mol
LogP4.19
Rot. Bonds7

About ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate

ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate (PubChem CID 134858518) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate.

Molecular Properties

Compound Nameethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate
PubChem CID134858518
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Nameethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate
SMILESC=C(C/C(=C\C)CCC=C(C)C)C(=O)OCC
InChIInChI=1S/C15H24O2/c1-6-14(10-8-9-12(3)4)11-13(5)15(16)17-7-2/h6,9H,5,7-8,10-11H2,1-4H3/b14-6-
InChIKeyCSXLBQORQOSILX-NSIKDUERSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethyl (4Z,8Z,12Z,16Z,20Z,24Z,28Z,32Z,36Z,40Z,44Z,48E,52E)-5,9,13,17,21,25,29,33,37,41,45,49,53,57-tetradecamethyloctapentaconta-4,8,12,16,20,24,28,32,36,40,44,48,52,56-tetradecaenoate
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CID 54120364
ethyl (6Z)-7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 11086708
ethyl 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenoate
CID 57102795
ethyl (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoate
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Frequently Asked Questions

What is the IUPAC name of ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate?
The IUPAC name of ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate (CID 134858518) is ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate.
What is the SMILES notation for ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate?
The canonical SMILES for ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate is C=C(C/C(=C\C)CCC=C(C)C)C(=O)OCC.
What is the InChIKey of ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate?
The InChIKey is CSXLBQORQOSILX-NSIKDUERSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-14(10-8-9-12(3)4)11-13(5)15(16)17-7-2/h6,9H,5,7-8,10-11H2,1-4H3/b14-6-.
What are the key properties of ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate?
ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate has a molecular weight of 236.35 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4Z)-4-ethylidene-8-methyl-2-methylidenenon-7-enoate is sourced from PubChem (CID 134858518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).