ethyl (Z)-3-hexyldec-3-enoate

C18H34O2 — CID 24977438

IUPACethyl (Z)-3-hexyldec-3-enoate
SMILESCCCCCC/C=C(/CCCCCC)CC(=O)OCC
InChIInChI=1S/C18H34O2/c1-4-7-9-11-13-15-17(14-12-10-8-5-2)16-18(19)20-6-3/h15H,4-14,16H2,1-3H3/b17-15-
InChIKeyDNOAYDSVQUFKQK-ICFOKQHNSA-N
MW282.47 g/mol
LogP5.81
Rot. Bonds13

About ethyl (Z)-3-hexyldec-3-enoate

ethyl (Z)-3-hexyldec-3-enoate (PubChem CID 24977438) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is ethyl (Z)-3-hexyldec-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-hexyldec-3-enoate
PubChem CID24977438
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Nameethyl (Z)-3-hexyldec-3-enoate
SMILESCCCCCC/C=C(/CCCCCC)CC(=O)OCC
InChIInChI=1S/C18H34O2/c1-4-7-9-11-13-15-17(14-12-10-8-5-2)16-18(19)20-6-3/h15H,4-14,16H2,1-3H3/b17-15-
InChIKeyDNOAYDSVQUFKQK-ICFOKQHNSA-N
XLogP5.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3E)-3-octylidenetridecyl] hexanoate
CID 134363824
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
CID 175771564
CID 175771564
pentakis(ethyl octanoate);hexane
CID 173194775
CID 87572227
CID 87572227
ethyl tetradecanoate
CID 89052756
ethyl undecanoate
CID 12327
methyl (E)-3-(3-oxopropyl)non-3-enoate
CID 5370129
ethyl octadeca-9,11-dienoate
CID 71333061
(Z)-7-ethyltetradec-7-ene
CID 134978641
ethyl decanoate;methanol
CID 161391102

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-hexyldec-3-enoate?
The IUPAC name of ethyl (Z)-3-hexyldec-3-enoate (CID 24977438) is ethyl (Z)-3-hexyldec-3-enoate.
What is the SMILES notation for ethyl (Z)-3-hexyldec-3-enoate?
The canonical SMILES for ethyl (Z)-3-hexyldec-3-enoate is CCCCCC/C=C(/CCCCCC)CC(=O)OCC.
What is the InChIKey of ethyl (Z)-3-hexyldec-3-enoate?
The InChIKey is DNOAYDSVQUFKQK-ICFOKQHNSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-7-9-11-13-15-17(14-12-10-8-5-2)16-18(19)20-6-3/h15H,4-14,16H2,1-3H3/b17-15-.
What are the key properties of ethyl (Z)-3-hexyldec-3-enoate?
ethyl (Z)-3-hexyldec-3-enoate has a molecular weight of 282.47 g/mol, XLogP of 5.81, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-hexyldec-3-enoate is sourced from PubChem (CID 24977438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).