(Z)-tetradec-9-enoate

C14H25O2- — CID 5461014

IUPAC(Z)-tetradec-9-enoate
SMILESCCCC/C=C\CCCCCCCC(=O)[O-]
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/p-1/b6-5-
InChIKeyYWWVWXASSLXJHU-WAYWQWQTSA-M
MW225.35 g/mol
LogP3.21
Rot. Bonds11

About (Z)-tetradec-9-enoate

(Z)-tetradec-9-enoate (PubChem CID 5461014) has the molecular formula C14H25O2- and a molecular weight of 225.35 g/mol. Its IUPAC name is (Z)-tetradec-9-enoate.

Molecular Properties

Compound Name(Z)-tetradec-9-enoate
PubChem CID5461014
Molecular FormulaC14H25O2-
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name(Z)-tetradec-9-enoate
SMILESCCCC/C=C\CCCCCCCC(=O)[O-]
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/p-1/b6-5-
InChIKeyYWWVWXASSLXJHU-WAYWQWQTSA-M
XLogP3.21
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.21
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

(E)-octadec-13-enoate
CID 19042742
lanthanum(3+);tris((Z)-tetradec-9-enoate)
CID 158310142
icosa-5,15-dienoate
CID 57350570
(E)-triacont-15-enoate
CID 59800253
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763
tris((Z)-icos-11-enoate);neodymium(3+)
CID 175691985
(5E,15Z)-icosa-5,15-dienoate
CID 154825312
tris(octadec-9-enoate);thulium(3+)
CID 173065522
iron(3+);(Z)-octadec-9-enoate
CID 22297787
lithium (Z)-octadec-9-enoate
CID 23673654
tris((Z)-icos-9-enoate);scandium(3+)
CID 175691845
holmium(3+);tris((Z)-octadec-9-enoate)
CID 173065426

Frequently Asked Questions

What is the IUPAC name of (Z)-tetradec-9-enoate?
The IUPAC name of (Z)-tetradec-9-enoate (CID 5461014) is (Z)-tetradec-9-enoate.
What is the SMILES notation for (Z)-tetradec-9-enoate?
The canonical SMILES for (Z)-tetradec-9-enoate is CCCC/C=C\CCCCCCCC(=O)[O-].
What is the InChIKey of (Z)-tetradec-9-enoate?
The InChIKey is YWWVWXASSLXJHU-WAYWQWQTSA-M. The full InChI is InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/p-1/b6-5-.
What are the key properties of (Z)-tetradec-9-enoate?
(Z)-tetradec-9-enoate has a molecular weight of 225.35 g/mol, XLogP of 3.21, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-tetradec-9-enoate is sourced from PubChem (CID 5461014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).