ethyl (E)-pentadec-2-en-8,14-diynoate

C17H24O2 — CID 11076196

IUPACethyl (E)-pentadec-2-en-8,14-diynoate
SMILESC#CCCCCC#CCCCC/C=C/C(=O)OCC
InChIInChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2/h1,15-16H,4-8,11-14H2,2H3/b16-15+
InChIKeyIVWSFVRYYODANA-FOCLMDBBSA-N
MW260.38 g/mol
LogP3.86
Rot. Bonds9

About ethyl (E)-pentadec-2-en-8,14-diynoate

ethyl (E)-pentadec-2-en-8,14-diynoate (PubChem CID 11076196) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is ethyl (E)-pentadec-2-en-8,14-diynoate.

Molecular Properties

Compound Nameethyl (E)-pentadec-2-en-8,14-diynoate
PubChem CID11076196
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Nameethyl (E)-pentadec-2-en-8,14-diynoate
SMILESC#CCCCCC#CCCCC/C=C/C(=O)OCC
InChIInChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2/h1,15-16H,4-8,11-14H2,2H3/b16-15+
InChIKeyIVWSFVRYYODANA-FOCLMDBBSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 55267330
ethyl (E)-octadec-2-enoate
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ethyl (2Z)-deca-2,9-dienoate
CID 141142906
ethyl 8-bromooct-2-enoate
CID 71343467
ethyl (2E,7E)-11-cyanoundeca-2,7-dienoate
CID 11053621
ethyl (2E,8E)-undeca-2,8,10-trienoate
CID 15013142
ethyl 13-methyltetradec-2-enoate
CID 71332881
ethyl (16Z)-docosa-2,13,16-trienoate
CID 175935939
ethyl (E,6R)-6-methylnon-2-en-8-ynoate
CID 71475126
ethyl (E)-5-hydroxypent-2-enoate
CID 13062577
ethyl (E)-10-hydroxyundec-2-enoate
CID 11572146

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-pentadec-2-en-8,14-diynoate?
The IUPAC name of ethyl (E)-pentadec-2-en-8,14-diynoate (CID 11076196) is ethyl (E)-pentadec-2-en-8,14-diynoate.
What is the SMILES notation for ethyl (E)-pentadec-2-en-8,14-diynoate?
The canonical SMILES for ethyl (E)-pentadec-2-en-8,14-diynoate is C#CCCCCC#CCCCC/C=C/C(=O)OCC.
What is the InChIKey of ethyl (E)-pentadec-2-en-8,14-diynoate?
The InChIKey is IVWSFVRYYODANA-FOCLMDBBSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-4-2/h1,15-16H,4-8,11-14H2,2H3/b16-15+.
What are the key properties of ethyl (E)-pentadec-2-en-8,14-diynoate?
ethyl (E)-pentadec-2-en-8,14-diynoate has a molecular weight of 260.38 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-pentadec-2-en-8,14-diynoate is sourced from PubChem (CID 11076196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).